2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide

C18H18N6O — CID 146103607

IUPAC2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide
SMILESCc1ccnc(-c2ccc(NC(=O)Cc3nc(C4CC4)n[nH]3)cc2)n1
InChIInChI=1S/C18H18N6O/c1-11-8-9-19-17(20-11)12-4-6-14(7-5-12)21-16(25)10-15-22-18(24-23-15)13-2-3-13/h4-9,13H,2-3,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyAXWODIXUAQRLDS-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.63
Rot. Bonds5

About 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide (PubChem CID 146103607) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide
PubChem CID146103607
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide
SMILESCc1ccnc(-c2ccc(NC(=O)Cc3nc(C4CC4)n[nH]3)cc2)n1
InChIInChI=1S/C18H18N6O/c1-11-8-9-19-17(20-11)12-4-6-14(7-5-12)21-16(25)10-15-22-18(24-23-15)13-2-3-13/h4-9,13H,2-3,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyAXWODIXUAQRLDS-UHFFFAOYSA-N
XLogP2.63
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
1-[2-[4-(4-methylpyrimidin-2-yl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91642886
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]acetamide
CID 146103606
1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 119049787
3-[methyl-[[4-(4-methylpyrimidin-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122084799
1-[1-(hydroxymethyl)cyclopentyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111926476
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111412039
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
CID 53264447
1-ethyl-1-(2-methylprop-2-enyl)-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 56791436
1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99581775
N-[3-(4-methylpyrimidin-2-yl)phenyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 154840518
2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
CID 119790178

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide (CID 146103607) is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide is Cc1ccnc(-c2ccc(NC(=O)Cc3nc(C4CC4)n[nH]3)cc2)n1.
What is the InChIKey of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide?
The InChIKey is AXWODIXUAQRLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-8-9-19-17(20-11)12-4-6-14(7-5-12)21-16(25)10-15-22-18(24-23-15)13-2-3-13/h4-9,13H,2-3,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide?
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 146103607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).