6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

C18H30N8 — CID 139513767

IUPAC6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC(C)c1nnc2n1CN(C)CC2CC(C)c1nnc2n1CCN(C)C2
InChIInChI=1S/C18H30N8/c1-12(2)16-20-22-18-14(9-24(5)11-26(16)18)8-13(3)17-21-19-15-10-23(4)6-7-25(15)17/h12-14H,6-11H2,1-5H3
InChIKeyRHIYZKWPRHJBMB-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.62
Rot. Bonds4

About 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 139513767) has the molecular formula C18H30N8 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID139513767
Molecular FormulaC18H30N8
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC(C)c1nnc2n1CN(C)CC2CC(C)c1nnc2n1CCN(C)C2
InChIInChI=1S/C18H30N8/c1-12(2)16-20-22-18-14(9-24(5)11-26(16)18)8-13(3)17-21-19-15-10-23(4)6-7-25(15)17/h12-14H,6-11H2,1-5H3
InChIKeyRHIYZKWPRHJBMB-UHFFFAOYSA-N
XLogP1.62
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

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Related Compounds

7-(3-methylbutyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134792876
7-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 137984042
1-[[1-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]piperidine
CID 71869591
7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95813203
7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95813205
6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134224563
3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134402295
2,8-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 158002605
3-[1-(2-Methylpropyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 161413623
7-methyl-3-[1-(6-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 166650358
7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 170617007
3-(1-methylpiperidin-4-yl)-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 177356308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (CID 139513767) is 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is CC(C)c1nnc2n1CN(C)CC2CC(C)c1nnc2n1CCN(C)C2.
What is the InChIKey of 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is RHIYZKWPRHJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8/c1-12(2)16-20-22-18-14(9-24(5)11-26(16)18)8-13(3)17-21-19-15-10-23(4)6-7-25(15)17/h12-14H,6-11H2,1-5H3.
What are the key properties of 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 358.49 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 139513767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).