2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine

C9H11N5 — CID 165479881

IUPAC2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine
SMILESCc1cc(Cn2ncc(N)n2)ccn1
InChIInChI=1S/C9H11N5/c1-7-4-8(2-3-11-7)6-14-12-5-9(10)13-14/h2-5H,6H2,1H3,(H2,10,13)
InChIKeyWGQZTLKDUGUMSB-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.61
Rot. Bonds2

About 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine

2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine (PubChem CID 165479881) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine
PubChem CID165479881
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine
SMILESCc1cc(Cn2ncc(N)n2)ccn1
InChIInChI=1S/C9H11N5/c1-7-4-8(2-3-11-7)6-14-12-5-9(10)13-14/h2-5H,6H2,1H3,(H2,10,13)
InChIKeyWGQZTLKDUGUMSB-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 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine?
The IUPAC name of 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine (CID 165479881) is 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine is Cc1cc(Cn2ncc(N)n2)ccn1.
What is the InChIKey of 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine?
The InChIKey is WGQZTLKDUGUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-4-8(2-3-11-7)6-14-12-5-9(10)13-14/h2-5H,6H2,1H3,(H2,10,13).
What are the key properties of 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine?
2-[(2-methyl-4-pyridinyl)methyl]triazol-4-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 2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine is sourced from PubChem (CID 165479881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).