[4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone

C14H15ClF2N6O — CID 177221632

IUPAC[4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESCc1cc(Cl)nc2nc(N3CCN(C(=O)C4CC4(F)F)CC3)nn12
InChIInChI=1S/C14H15ClF2N6O/c1-8-6-10(15)18-12-19-13(20-23(8)12)22-4-2-21(3-5-22)11(24)9-7-14(9,16)17/h6,9H,2-5,7H2,1H3
InChIKeyDTEPSRBRZHUDSC-UHFFFAOYSA-N
MW356.76 g/mol
LogP1.39
Rot. Bonds2

About [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone

[4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone (PubChem CID 177221632) has the molecular formula C14H15ClF2N6O and a molecular weight of 356.76 g/mol. Its IUPAC name is [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone
PubChem CID177221632
Molecular FormulaC14H15ClF2N6O
Molecular Weight356.76 g/mol
Exact Mass356.10
IUPAC Name[4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESCc1cc(Cl)nc2nc(N3CCN(C(=O)C4CC4(F)F)CC3)nn12
InChIInChI=1S/C14H15ClF2N6O/c1-8-6-10(15)18-12-19-13(20-23(8)12)22-4-2-21(3-5-22)11(24)9-7-14(9,16)17/h6,9H,2-5,7H2,1H3
InChIKeyDTEPSRBRZHUDSC-UHFFFAOYSA-N
XLogP1.39
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
[4-(8-chloro-5-methyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 154934893
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646366
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26783475
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
[4-[4-[4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenyl]phenyl]piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 167104624
[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 31188652
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500853
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The IUPAC name of [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone (CID 177221632) is [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone.
What is the SMILES notation for [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The canonical SMILES for [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone is Cc1cc(Cl)nc2nc(N3CCN(C(=O)C4CC4(F)F)CC3)nn12.
What is the InChIKey of [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The InChIKey is DTEPSRBRZHUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N6O/c1-8-6-10(15)18-12-19-13(20-23(8)12)22-4-2-21(3-5-22)11(24)9-7-14(9,16)17/h6,9H,2-5,7H2,1H3.
What are the key properties of [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone?
[4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone has a molecular weight of 356.76 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone is sourced from PubChem (CID 177221632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).