3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H19N5 — CID 133478091

IUPAC3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1ccccc1CN(C)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H19N5/c1-12-5-3-4-6-14(12)11-21(2)16-17-20-19-15(13-7-8-13)22(17)10-9-18-16/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyVHFHVOKWVVCAGS-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.95
Rot. Bonds4

About 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478091) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478091
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1ccccc1CN(C)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H19N5/c1-12-5-3-4-6-14(12)11-21(2)16-17-20-19-15(13-7-8-13)22(17)10-9-18-16/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyVHFHVOKWVVCAGS-UHFFFAOYSA-N
XLogP2.95
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478080
3-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478585
N-[2-(4-chlorophenoxy)ethyl]-3-cyclopropyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478153
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol
CID 86815674
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 80507438
N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 133478423
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-phenylethanol
CID 133477982
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 17390631
3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 61411893
4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
CID 113367573
3-cyclopropyl-8-[4-(2-phenoxyethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478319
[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145672

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478091) is 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1ccccc1CN(C)c1nccn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is VHFHVOKWVVCAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12-5-3-4-6-14(12)11-21(2)16-17-20-19-15(13-7-8-13)22(17)10-9-18-16/h3-6,9-10,13H,7-8,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 293.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).