(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

C17H18N6O — CID 72859386

IUPAC(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC(c3cccnc3)C2)nc2ncnn12
InChIInChI=1S/C17H18N6O/c1-11(2)15-6-14(21-17-19-10-20-23(15)17)16(24)22-8-13(9-22)12-4-3-5-18-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyXOLZVMPDUKENDL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.88
Rot. Bonds3

About (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 72859386) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID72859386
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC(c3cccnc3)C2)nc2ncnn12
InChIInChI=1S/C17H18N6O/c1-11(2)15-6-14(21-17-19-10-20-23(15)17)16(24)22-8-13(9-22)12-4-3-5-18-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyXOLZVMPDUKENDL-UHFFFAOYSA-N
XLogP1.88
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118787753
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97285251
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 99949308
8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948165
[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72891602
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97123200
2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 70777350
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
[(2S)-2-butyl-2,5-dihydropyrrol-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 95550344
(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 70751823
N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72848065

Frequently Asked Questions

What is the IUPAC name of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 72859386) is (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is CC(C)c1cc(C(=O)N2CC(c3cccnc3)C2)nc2ncnn12.
What is the InChIKey of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is XOLZVMPDUKENDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11(2)15-6-14(21-17-19-10-20-23(15)17)16(24)22-8-13(9-22)12-4-3-5-18-7-12/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 72859386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).