1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile

C10H10N6 — CID 80635415

IUPAC1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
SMILESCNCc1ccc(-n2cnc(C#N)n2)nc1
InChIInChI=1S/C10H10N6/c1-12-5-8-2-3-10(13-6-8)16-7-14-9(4-11)15-16/h2-3,6-7,12H,5H2,1H3
InChIKeySSYRTTIYIDHPNQ-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.25
Rot. Bonds3

About 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile

1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 80635415) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
PubChem CID80635415
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
SMILESCNCc1ccc(-n2cnc(C#N)n2)nc1
InChIInChI=1S/C10H10N6/c1-12-5-8-2-3-10(13-6-8)16-7-14-9(4-11)15-16/h2-3,6-7,12H,5H2,1H3
InChIKeySSYRTTIYIDHPNQ-UHFFFAOYSA-N
XLogP0.25
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile (CID 80635415) is 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile is CNCc1ccc(-n2cnc(C#N)n2)nc1.
What is the InChIKey of 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is SSYRTTIYIDHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-12-5-8-2-3-10(13-6-8)16-7-14-9(4-11)15-16/h2-3,6-7,12H,5H2,1H3.
What are the key properties of 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylaminomethyl)-2-pyridinyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 80635415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).