4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide

C15H25N5O — CID 79511671

IUPAC4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CN)CC1)c1nnc2n1CCC2
InChIInChI=1S/C15H25N5O/c1-10(14-19-18-13-3-2-8-20(13)14)17-15(21)12-6-4-11(9-16)5-7-12/h10-12H,2-9,16H2,1H3,(H,17,21)
InChIKeyDEXGKEJTFICMEJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.17
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 79511671) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID79511671
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CN)CC1)c1nnc2n1CCC2
InChIInChI=1S/C15H25N5O/c1-10(14-19-18-13-3-2-8-20(13)14)17-15(21)12-6-4-11(9-16)5-7-12/h10-12H,2-9,16H2,1H3,(H,17,21)
InChIKeyDEXGKEJTFICMEJ-UHFFFAOYSA-N
XLogP1.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 79511671) is 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(CN)CC1)c1nnc2n1CCC2.
What is the InChIKey of 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is DEXGKEJTFICMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-10(14-19-18-13-3-2-8-20(13)14)17-15(21)12-6-4-11(9-16)5-7-12/h10-12H,2-9,16H2,1H3,(H,17,21).
What are the key properties of 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79511671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).