2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile

C11H12N6 — CID 80683010

IUPAC2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
SMILESCn1cnc(CCNc2cc(C#N)ccn2)n1
InChIInChI=1S/C11H12N6/c1-17-8-15-10(16-17)3-5-14-11-6-9(7-12)2-4-13-11/h2,4,6,8H,3,5H2,1H3,(H,13,14)
InChIKeyQOPBYVOTLXDEFI-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.74
Rot. Bonds4

About 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile

2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 80683010) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID80683010
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
SMILESCn1cnc(CCNc2cc(C#N)ccn2)n1
InChIInChI=1S/C11H12N6/c1-17-8-15-10(16-17)3-5-14-11-6-9(7-12)2-4-13-11/h2,4,6,8H,3,5H2,1H3,(H,13,14)
InChIKeyQOPBYVOTLXDEFI-UHFFFAOYSA-N
XLogP0.74
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 80689575
2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 62615257
3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103468827
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
4-methyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 80682648
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
5-bromo-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 113381723
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridazin-3-amine
CID 80689016
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile (CID 80683010) is 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile is Cn1cnc(CCNc2cc(C#N)ccn2)n1.
What is the InChIKey of 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is QOPBYVOTLXDEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-17-8-15-10(16-17)3-5-14-11-6-9(7-12)2-4-13-11/h2,4,6,8H,3,5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile?
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 80683010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).