N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H13N7 — CID 43816833

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nc3ccccc3[nH]2)n2ncnc2n1
InChIInChI=1S/C14H13N7/c1-9-6-13(21-14(18-9)16-8-17-21)15-7-12-19-10-4-2-3-5-11(10)20-12/h2-6,8,15H,7H2,1H3,(H,19,20)
InChIKeyXCOOLNZLSXVNON-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.92
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 43816833) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID43816833
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nc3ccccc3[nH]2)n2ncnc2n1
InChIInChI=1S/C14H13N7/c1-9-6-13(21-14(18-9)16-8-17-21)15-7-12-19-10-4-2-3-5-11(10)20-12/h2-6,8,15H,7H2,1H3,(H,19,20)
InChIKeyXCOOLNZLSXVNON-UHFFFAOYSA-N
XLogP1.92
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70987262
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324128
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
5-methyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95314538
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 43816833) is N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2nc3ccccc3[nH]2)n2ncnc2n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XCOOLNZLSXVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-9-6-13(21-14(18-9)16-8-17-21)15-7-12-19-10-4-2-3-5-11(10)20-12/h2-6,8,15H,7H2,1H3,(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 43816833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).