[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine

C11H15N5 — CID 62895707

IUPAC[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCc1nc(C)n(Cc2cccnc2CN)n1
InChIInChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)7-10-4-3-5-13-11(10)6-12/h3-5H,6-7,12H2,1-2H3
InChIKeyLRDXPDQTEDQZCK-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.80
Rot. Bonds3

About [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine

[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 62895707) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID62895707
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCc1nc(C)n(Cc2cccnc2CN)n1
InChIInChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)7-10-4-3-5-13-11(10)6-12/h3-5H,6-7,12H2,1-2H3
InChIKeyLRDXPDQTEDQZCK-UHFFFAOYSA-N
XLogP0.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine (CID 62895707) is [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine is Cc1nc(C)n(Cc2cccnc2CN)n1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is LRDXPDQTEDQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)7-10-4-3-5-13-11(10)6-12/h3-5H,6-7,12H2,1-2H3.
What are the key properties of [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62895707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).