N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H26N6O2 — CID 91767404

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CC(c2nnc(CO)n2C)C1
InChIInChI=1S/C17H26N6O2/c1-10-14(11(2)23(4)21-10)5-6-16(25)18-13-7-12(8-13)17-20-19-15(9-24)22(17)3/h12-13,24H,5-9H2,1-4H3,(H,18,25)
InChIKeyAKOFVRMINWFZNT-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.65
Rot. Bonds6

About N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 91767404) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID91767404
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CC(c2nnc(CO)n2C)C1
InChIInChI=1S/C17H26N6O2/c1-10-14(11(2)23(4)21-10)5-6-16(25)18-13-7-12(8-13)17-20-19-15(9-24)22(17)3/h12-13,24H,5-9H2,1-4H3,(H,18,25)
InChIKeyAKOFVRMINWFZNT-UHFFFAOYSA-N
XLogP0.65
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91769457
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91763940
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide
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N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458
N-(3-ethylsulfanylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71979348
N-[2-(aminomethyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119603106
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119620409
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95279118
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 91768968
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 91767404) is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC1CC(c2nnc(CO)n2C)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is AKOFVRMINWFZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-10-14(11(2)23(4)21-10)5-6-16(25)18-13-7-12(8-13)17-20-19-15(9-24)22(17)3/h12-13,24H,5-9H2,1-4H3,(H,18,25).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 346.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 91767404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).