(2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide

C12H20N4O — CID 36997462

IUPAC(2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCC1CCCCC1)n1cncn1
InChIInChI=1S/C12H20N4O/c1-10(16-9-13-8-15-16)12(17)14-7-11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeyKHFKFNVOPVRMHA-SNVBAGLBSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds4

About (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 36997462) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID36997462
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCC1CCCCC1)n1cncn1
InChIInChI=1S/C12H20N4O/c1-10(16-9-13-8-15-16)12(17)14-7-11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeyKHFKFNVOPVRMHA-SNVBAGLBSA-N
XLogP1.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 36997462) is (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)NCC1CCCCC1)n1cncn1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KHFKFNVOPVRMHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(16-9-13-8-15-16)12(17)14-7-11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 36997462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).