N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide

C12H18N4O2 — CID 66215181

IUPACN-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
SMILESO=Cc1cn(CCC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C12H18N4O2/c17-9-11-8-16(15-14-11)7-6-12(18)13-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,13,18)
InChIKeyCDKBXBRMBSDYML-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds5

About N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide

N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide (PubChem CID 66215181) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
PubChem CID66215181
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
SMILESO=Cc1cn(CCC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C12H18N4O2/c17-9-11-8-16(15-14-11)7-6-12(18)13-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,13,18)
InChIKeyCDKBXBRMBSDYML-UHFFFAOYSA-N
XLogP0.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216178
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide (CID 66215181) is N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide is O=Cc1cn(CCC(=O)NC2CCCCC2)nn1.
What is the InChIKey of N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide?
The InChIKey is CDKBXBRMBSDYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-9-11-8-16(15-14-11)7-6-12(18)13-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,13,18).
What are the key properties of N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide?
N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide is sourced from PubChem (CID 66215181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).