5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine

C14H20N8 — CID 165415449

IUPAC5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
SMILESCc1cc(C)n2nc(CCc3nc(N(C)C)nn3C)nc2n1
InChIInChI=1S/C14H20N8/c1-9-8-10(2)22-13(15-9)16-11(18-22)6-7-12-17-14(20(3)4)19-21(12)5/h8H,6-7H2,1-5H3
InChIKeyMRYNQZXSDIDDCD-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.72
Rot. Bonds4

About 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine

5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine (PubChem CID 165415449) has the molecular formula C14H20N8 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
PubChem CID165415449
Molecular FormulaC14H20N8
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
SMILESCc1cc(C)n2nc(CCc3nc(N(C)C)nn3C)nc2n1
InChIInChI=1S/C14H20N8/c1-9-8-10(2)22-13(15-9)16-11(18-22)6-7-12-17-14(20(3)4)19-21(12)5/h8H,6-7H2,1-5H3
InChIKeyMRYNQZXSDIDDCD-UHFFFAOYSA-N
XLogP0.72
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine (CID 165415449) is 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine is Cc1cc(C)n2nc(CCc3nc(N(C)C)nn3C)nc2n1.
What is the InChIKey of 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
The InChIKey is MRYNQZXSDIDDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8/c1-9-8-10(2)22-13(15-9)16-11(18-22)6-7-12-17-14(20(3)4)19-21(12)5/h8H,6-7H2,1-5H3.
What are the key properties of 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine?
5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine has a molecular weight of 300.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 165415449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).