N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C15H18N6 — CID 138019782

IUPACN-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(C)CN(Cc1ccccn1)c1nccn2cnnc12
InChIInChI=1S/C15H18N6/c1-12(2)9-21(10-13-5-3-4-6-16-13)14-15-19-18-11-20(15)8-7-17-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyWHFCDBOEJZLVQS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.18
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138019782) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138019782
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(C)CN(Cc1ccccn1)c1nccn2cnnc12
InChIInChI=1S/C15H18N6/c1-12(2)9-21(10-13-5-3-4-6-16-13)14-15-19-18-11-20(15)8-7-17-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyWHFCDBOEJZLVQS-UHFFFAOYSA-N
XLogP2.18
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46998669
(1R)-1-[5-[ethyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132096
4-chloro-1-methyl-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 74248019
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)azetidin-3-amine
CID 172908974
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46994572
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138019782) is N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC(C)CN(Cc1ccccn1)c1nccn2cnnc12.
What is the InChIKey of N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is WHFCDBOEJZLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-12(2)9-21(10-13-5-3-4-6-16-13)14-15-19-18-11-20(15)8-7-17-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 282.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138019782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).