N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C16H24N4O — CID 134796769

IUPACN-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCc2nnc(C3CC3)n21
InChIInChI=1S/C16H24N4O/c21-16(17-12-5-3-1-2-4-6-12)13-9-10-14-18-19-15(20(13)14)11-7-8-11/h11-13H,1-10H2,(H,17,21)
InChIKeyZTSFVANUMRIXOK-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.48
Rot. Bonds3

About N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134796769) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134796769
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCc2nnc(C3CC3)n21
InChIInChI=1S/C16H24N4O/c21-16(17-12-5-3-1-2-4-6-12)13-9-10-14-18-19-15(20(13)14)11-7-8-11/h11-13H,1-10H2,(H,17,21)
InChIKeyZTSFVANUMRIXOK-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134796769) is N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is O=C(NC1CCCCCC1)C1CCc2nnc(C3CC3)n21.
What is the InChIKey of N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is ZTSFVANUMRIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(17-12-5-3-1-2-4-6-12)13-9-10-14-18-19-15(20(13)14)11-7-8-11/h11-13H,1-10H2,(H,17,21).
What are the key properties of N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134796769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).