1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one

C22H30N4O2 — CID 164690786

IUPAC1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C
InChIInChI=1S/C22H30N4O2/c1-15(2)14-18-22-23-21(17-8-9-17)24-26(22)13-12-25(18)20(27)11-10-16-6-4-5-7-19(16)28-3/h4-7,15,17-18H,8-14H2,1-3H3/t18-/m0/s1
InChIKeyNJXCKWKFRLODPW-SFHVURJKSA-N
MW382.51 g/mol
LogP3.73
Rot. Bonds7

About 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one

1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 164690786) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID164690786
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C
InChIInChI=1S/C22H30N4O2/c1-15(2)14-18-22-23-21(17-8-9-17)24-26(22)13-12-25(18)20(27)11-10-16-6-4-5-7-19(16)28-3/h4-7,15,17-18H,8-14H2,1-3H3/t18-/m0/s1
InChIKeyNJXCKWKFRLODPW-SFHVURJKSA-N
XLogP3.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-4-methoxyphenyl)-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164696413
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
CID 164699474
1-[2-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-oxoethyl]azepan-2-one
CID 164696234
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 164692337
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 171143210
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one (CID 164690786) is 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C.
What is the InChIKey of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is NJXCKWKFRLODPW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)14-18-22-23-21(17-8-9-17)24-26(22)13-12-25(18)20(27)11-10-16-6-4-5-7-19(16)28-3/h4-7,15,17-18H,8-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 382.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 164690786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).