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

C14H24N6O2 — CID 91768434

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESNc1n[nH]c(CNC(=O)C2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C14H24N6O2/c15-13-17-11(18-19-13)10-16-12(21)14(4-2-1-3-5-14)20-6-8-22-9-7-20/h1-10H2,(H,16,21)(H3,15,17,18,19)
InChIKeyHQEZJTHKCLYJPY-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.04
Rot. Bonds4

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

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 91768434) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID91768434
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESNc1n[nH]c(CNC(=O)C2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C14H24N6O2/c15-13-17-11(18-19-13)10-16-12(21)14(4-2-1-3-5-14)20-6-8-22-9-7-20/h1-10H2,(H,16,21)(H3,15,17,18,19)
InChIKeyHQEZJTHKCLYJPY-UHFFFAOYSA-N
XLogP0.04
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 91768434) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is Nc1n[nH]c(CNC(=O)C2(N3CCOCC3)CCCCC2)n1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is HQEZJTHKCLYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c15-13-17-11(18-19-13)10-16-12(21)14(4-2-1-3-5-14)20-6-8-22-9-7-20/h1-10H2,(H,16,21)(H3,15,17,18,19).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91768434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).