2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide

C16H24N4O — CID 102554712

IUPAC2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)C1CC1C1CCCCC1
InChIInChI=1S/C16H24N4O/c21-16(13-9-12(13)11-5-2-1-3-6-11)17-10-15-19-18-14-7-4-8-20(14)15/h11-13H,1-10H2,(H,17,21)
InChIKeyLPTMLPMCTKDSDB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds4

About 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide

2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 102554712) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID102554712
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)C1CC1C1CCCCC1
InChIInChI=1S/C16H24N4O/c21-16(13-9-12(13)11-5-2-1-3-6-11)17-10-15-19-18-14-7-4-8-20(14)15/h11-13H,1-10H2,(H,17,21)
InChIKeyLPTMLPMCTKDSDB-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide (CID 102554712) is 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1nnc2n1CCC2)C1CC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is LPTMLPMCTKDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(13-9-12(13)11-5-2-1-3-6-11)17-10-15-19-18-14-7-4-8-20(14)15/h11-13H,1-10H2,(H,17,21).
What are the key properties of 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide?
2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102554712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).