N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

C15H26N6O2 — CID 122556081

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESNc1n[nH]c(CCNC(=O)C2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C15H26N6O2/c16-14-18-12(19-20-14)4-7-17-13(22)15(5-2-1-3-6-15)21-8-10-23-11-9-21/h1-11H2,(H,17,22)(H3,16,18,19,20)
InChIKeyMMGJYIZMWDKGBD-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.08
Rot. Bonds5

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 122556081) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID122556081
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESNc1n[nH]c(CCNC(=O)C2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C15H26N6O2/c16-14-18-12(19-20-14)4-7-17-13(22)15(5-2-1-3-6-15)21-8-10-23-11-9-21/h1-11H2,(H,17,22)(H3,16,18,19,20)
InChIKeyMMGJYIZMWDKGBD-UHFFFAOYSA-N
XLogP0.08
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 122556081) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is Nc1n[nH]c(CCNC(=O)C2(N3CCOCC3)CCCCC2)n1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is MMGJYIZMWDKGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c16-14-18-12(19-20-14)4-7-17-13(22)15(5-2-1-3-6-15)21-8-10-23-11-9-21/h1-11H2,(H,17,22)(H3,16,18,19,20).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 122556081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).