N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide

C12H20N4O2 — CID 103860246

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1CO)n1cncn1
InChIInChI=1S/C12H20N4O2/c1-9(16-8-13-7-14-16)12(18)15-11-5-3-2-4-10(11)6-17/h7-11,17H,2-6H2,1H3,(H,15,18)
InChIKeyPNIJQTVBPWXTSV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 103860246) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID103860246
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1CO)n1cncn1
InChIInChI=1S/C12H20N4O2/c1-9(16-8-13-7-14-16)12(18)15-11-5-3-2-4-10(11)6-17/h7-11,17H,2-6H2,1H3,(H,15,18)
InChIKeyPNIJQTVBPWXTSV-UHFFFAOYSA-N
XLogP0.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43421695
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97064288
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129368215

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 103860246) is N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC1CCCCC1CO)n1cncn1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PNIJQTVBPWXTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(16-8-13-7-14-16)12(18)15-11-5-3-2-4-10(11)6-17/h7-11,17H,2-6H2,1H3,(H,15,18).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 103860246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).