N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide

C11H15N5O — CID 112735587

IUPACN-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)N(CC#N)C2CCCC2)nn1
InChIInChI=1S/C11H15N5O/c1-15-8-10(13-14-15)11(17)16(7-6-12)9-4-2-3-5-9/h8-9H,2-5,7H2,1H3
InChIKeyABVLIPFQCGZCFS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.72
Rot. Bonds3

About N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide

N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide (PubChem CID 112735587) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
PubChem CID112735587
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)N(CC#N)C2CCCC2)nn1
InChIInChI=1S/C11H15N5O/c1-15-8-10(13-14-15)11(17)16(7-6-12)9-4-2-3-5-9/h8-9H,2-5,7H2,1H3
InChIKeyABVLIPFQCGZCFS-UHFFFAOYSA-N
XLogP0.72
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 72717917
N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337544
N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide
CID 65205216
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25446260
2-[4-[2-cyanoethyl(cyclopropyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288353
(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
CID 130905526
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
CID 82771438
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide (CID 112735587) is N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)N(CC#N)C2CCCC2)nn1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide?
The InChIKey is ABVLIPFQCGZCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-8-10(13-14-15)11(17)16(7-6-12)9-4-2-3-5-9/h8-9H,2-5,7H2,1H3.
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide?
N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 112735587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).