(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C19H24N4O2 — CID 126818288

IUPAC(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)c1ccccc1OC1CC1)C2C
InChIInChI=1S/C19H24N4O2/c1-12(2)17-20-21-18-13(3)22(10-11-23(17)18)19(24)15-6-4-5-7-16(15)25-14-8-9-14/h4-7,12-14H,8-11H2,1-3H3
InChIKeySWIXZTYWBNEFAL-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.16
Rot. Bonds4

About (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 126818288) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID126818288
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)c1ccccc1OC1CC1)C2C
InChIInChI=1S/C19H24N4O2/c1-12(2)17-20-21-18-13(3)22(10-11-23(17)18)19(24)15-6-4-5-7-16(15)25-14-8-9-14/h4-7,12-14H,8-11H2,1-3H3
InChIKeySWIXZTYWBNEFAL-UHFFFAOYSA-N
XLogP3.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone
CID 126801970
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone
CID 118950326
[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 169036001
[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone
CID 161354831
1-[4-(2-cyclobutyloxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 75372240
(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 136542777
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
3-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzoic acid
CID 122033267
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-quinolin-4-ylmethanone
CID 131694989
(8R)-N-[(2R)-hept-6-en-2-yl]-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 99832282
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 126818288) is (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CC(C)c1nnc2n1CCN(C(=O)c1ccccc1OC1CC1)C2C.
What is the InChIKey of (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is SWIXZTYWBNEFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)17-20-21-18-13(3)22(10-11-23(17)18)19(24)15-6-4-5-7-16(15)25-14-8-9-14/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 126818288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).