5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H14N8O — CID 103716416

IUPAC5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC(C)c3ncn[nH]3)nc2n1
InChIInChI=1S/C12H14N8O/c1-6-4-7(2)20-12(15-6)17-10(19-20)11(21)16-8(3)9-13-5-14-18-9/h4-5,8H,1-3H3,(H,16,21)(H,13,14,18)
InChIKeyMVANEHTZVJDAHR-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.35
Rot. Bonds3

About 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 103716416) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID103716416
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC(C)c3ncn[nH]3)nc2n1
InChIInChI=1S/C12H14N8O/c1-6-4-7(2)20-12(15-6)17-10(19-20)11(21)16-8(3)9-13-5-14-18-9/h4-5,8H,1-3H3,(H,16,21)(H,13,14,18)
InChIKeyMVANEHTZVJDAHR-UHFFFAOYSA-N
XLogP0.35
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 103716416) is 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC(C)c3ncn[nH]3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MVANEHTZVJDAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-6-4-7(2)20-12(15-6)17-10(19-20)11(21)16-8(3)9-13-5-14-18-9/h4-5,8H,1-3H3,(H,16,21)(H,13,14,18).
What are the key properties of 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 103716416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).