2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

C12H21N5O — CID 80682607

IUPAC2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCn1cnc(CCNC(=O)C2CCCCC2N)n1
InChIInChI=1S/C12H21N5O/c1-17-8-15-11(16-17)6-7-14-12(18)9-4-2-3-5-10(9)13/h8-10H,2-7,13H2,1H3,(H,14,18)
InChIKeyUKQLQJJWZIZWGW-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.01
Rot. Bonds4

About 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 80682607) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID80682607
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCn1cnc(CCNC(=O)C2CCCCC2N)n1
InChIInChI=1S/C12H21N5O/c1-17-8-15-11(16-17)6-7-14-12(18)9-4-2-3-5-10(9)13/h8-10H,2-7,13H2,1H3,(H,14,18)
InChIKeyUKQLQJJWZIZWGW-UHFFFAOYSA-N
XLogP-0.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 80682607) is 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is Cn1cnc(CCNC(=O)C2CCCCC2N)n1.
What is the InChIKey of 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is UKQLQJJWZIZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-17-8-15-11(16-17)6-7-14-12(18)9-4-2-3-5-10(9)13/h8-10H,2-7,13H2,1H3,(H,14,18).
What are the key properties of 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 80682607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).