1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine

C9H11N5 — CID 102881131

IUPAC1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
SMILESCc1cncc(Cn2cnc(N)n2)c1
InChIInChI=1S/C9H11N5/c1-7-2-8(4-11-3-7)5-14-6-12-9(10)13-14/h2-4,6H,5H2,1H3,(H2,10,13)
InChIKeyBDLIXARWIVREQL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.61
Rot. Bonds2

About 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine

1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 102881131) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
PubChem CID102881131
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
SMILESCc1cncc(Cn2cnc(N)n2)c1
InChIInChI=1S/C9H11N5/c1-7-2-8(4-11-3-7)5-14-6-12-9(10)13-14/h2-4,6H,5H2,1H3,(H2,10,13)
InChIKeyBDLIXARWIVREQL-UHFFFAOYSA-N
XLogP0.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine (CID 102881131) is 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine is Cc1cncc(Cn2cnc(N)n2)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is BDLIXARWIVREQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-2-8(4-11-3-7)5-14-6-12-9(10)13-14/h2-4,6H,5H2,1H3,(H2,10,13).
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 102881131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).