N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide

C12H20N4O2 — CID 114146390

IUPACN-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCC1CCC(O)CC1
InChIInChI=1S/C12H20N4O2/c17-11-3-1-10(2-4-11)9-13-12(18)5-7-16-8-6-14-15-16/h6,8,10-11,17H,1-5,7,9H2,(H,13,18)
InChIKeyANMGCTODIPCDCP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds5

About N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide

N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide (PubChem CID 114146390) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
PubChem CID114146390
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCC1CCC(O)CC1
InChIInChI=1S/C12H20N4O2/c17-11-3-1-10(2-4-11)9-13-12(18)5-7-16-8-6-14-15-16/h6,8,10-11,17H,1-5,7,9H2,(H,13,18)
InChIKeyANMGCTODIPCDCP-UHFFFAOYSA-N
XLogP0.34
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
N-(morpholin-3-ylmethyl)-3-(triazol-1-yl)propanamide
CID 103548648
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(triazol-1-yl)propan-1-one
CID 43594543
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
CID 131890431
N-[2-methyl-3-(methylamino)propyl]-3-(triazol-1-yl)propanamide
CID 81479457
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide (CID 114146390) is N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide?
The InChIKey is ANMGCTODIPCDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-11-3-1-10(2-4-11)9-13-12(18)5-7-16-8-6-14-15-16/h6,8,10-11,17H,1-5,7,9H2,(H,13,18).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide?
N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 114146390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).