N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

C19H24N6 — CID 133478423

IUPACN-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1nccn2c(C3CC3)nnc12)c1cccc(C)c1
InChIInChI=1S/C19H24N6/c1-3-24(16-6-4-5-14(2)13-16)11-9-20-17-19-23-22-18(15-7-8-15)25(19)12-10-21-17/h4-6,10,12-13,15H,3,7-9,11H2,1-2H3,(H,20,21)
InChIKeyFRWDMNQBZAXADZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.25
Rot. Bonds7

About N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 133478423) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID133478423
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1nccn2c(C3CC3)nnc12)c1cccc(C)c1
InChIInChI=1S/C19H24N6/c1-3-24(16-6-4-5-14(2)13-16)11-9-20-17-19-23-22-18(15-7-8-15)25(19)12-10-21-17/h4-6,10,12-13,15H,3,7-9,11H2,1-2H3,(H,20,21)
InChIKeyFRWDMNQBZAXADZ-UHFFFAOYSA-N
XLogP3.25
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 72884771
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
3-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 91651037
3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478440
1-tert-butyl-3-cyclopropyl-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrazole-5-carboxamide
CID 47039077
4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407866
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 4843023
3-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478091
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-cyclopropyl-N-(1-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133477972
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 133478423) is N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine is CCN(CCNc1nccn2c(C3CC3)nnc12)c1cccc(C)c1.
What is the InChIKey of N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is FRWDMNQBZAXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-24(16-6-4-5-14(2)13-16)11-9-20-17-19-23-22-18(15-7-8-15)25(19)12-10-21-17/h4-6,10,12-13,15H,3,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 133478423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).