7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H20N6 — CID 71932890

IUPAC7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2n1CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C13H20N6/c1-10(2)13-16-15-12-9-18(4-5-19(12)13)8-11-6-14-17(3)7-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyUFMMBXLWKOOIHX-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.15
Rot. Bonds3

About 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71932890) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71932890
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2n1CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C13H20N6/c1-10(2)13-16-15-12-9-18(4-5-19(12)13)8-11-6-14-17(3)7-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyUFMMBXLWKOOIHX-UHFFFAOYSA-N
XLogP1.15
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 71932890) is 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)c1nnc2n1CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UFMMBXLWKOOIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10(2)13-16-15-12-9-18(4-5-19(12)13)8-11-6-14-17(3)7-11/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 260.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71932890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).