4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile

C15H21N5 — CID 115651796

IUPAC4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile
SMILESCC(NCC(C)(C)CCC#N)c1nnc2ccccn12
InChIInChI=1S/C15H21N5/c1-12(17-11-15(2,3)8-6-9-16)14-19-18-13-7-4-5-10-20(13)14/h4-5,7,10,12,17H,6,8,11H2,1-3H3
InChIKeyJQGSDDNMQMUUAL-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.71
Rot. Bonds6

About 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile

4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile (PubChem CID 115651796) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile
PubChem CID115651796
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile
SMILESCC(NCC(C)(C)CCC#N)c1nnc2ccccn12
InChIInChI=1S/C15H21N5/c1-12(17-11-15(2,3)8-6-9-16)14-19-18-13-7-4-5-10-20(13)14/h4-5,7,10,12,17H,6,8,11H2,1-3H3
InChIKeyJQGSDDNMQMUUAL-UHFFFAOYSA-N
XLogP2.71
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile with MolForge

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Related Compounds

3-Amino-(1,2,4)triazolo(4,3-a)pyridine
CID 253286
2-Methyl-(1,2,4)triazolo(1,5-a)pyridin-8-amine
CID 590472
[1,2,4]Triazolo[4,3-a]pyridin-8-amine
CID 272202
2-Methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 590473
1-Phenyl-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]cyclohexane-1-carbonitrile
CID 9170381
3-((1,2,4)Triazolo(4,3-a)pyridin-3-yl)piperidine hydrochloride
CID 54592566
4-{[1,2,4]Triazolo[4,3-a]pyridin-3-yl}piperidine
CID 4962747
Methyl({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine
CID 24706404
N,N-dimethyl-N'-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1-pyridin-2-ylethane-1,2-diamine
CID 56917261
2-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 4962484
(6-(Trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridin-3-yl)methanamine
CID 7131575
2-Methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine
CID 24703425

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile (CID 115651796) is 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile is CC(NCC(C)(C)CCC#N)c1nnc2ccccn12.
What is the InChIKey of 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile?
The InChIKey is JQGSDDNMQMUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12(17-11-15(2,3)8-6-9-16)14-19-18-13-7-4-5-10-20(13)14/h4-5,7,10,12,17H,6,8,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile?
4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile has a molecular weight of 271.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 115651796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).