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

C14H23N5O — CID 43698126

IUPAC1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1nnc2n1CCC2
InChIInChI=1S/C14H23N5O/c1-10(12-18-17-11-6-5-9-19(11)12)16-13(20)14(15)7-3-2-4-8-14/h10H,2-9,15H2,1H3,(H,16,20)
InChIKeyQGRNPYPXVDSKET-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.06
Rot. Bonds3

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

1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 43698126) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID43698126
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1nnc2n1CCC2
InChIInChI=1S/C14H23N5O/c1-10(12-18-17-11-6-5-9-19(11)12)16-13(20)14(15)7-3-2-4-8-14/h10H,2-9,15H2,1H3,(H,16,20)
InChIKeyQGRNPYPXVDSKET-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 43698126) is 1-amino-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 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(N)CCCCC1)c1nnc2n1CCC2.
What is the InChIKey of 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is QGRNPYPXVDSKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(12-18-17-11-6-5-9-19(11)12)16-13(20)14(15)7-3-2-4-8-14/h10H,2-9,15H2,1H3,(H,16,20).
What are the key properties of 1-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-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 277.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-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 43698126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).