N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine

C15H27N5O — CID 71928129

IUPACN-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine
SMILESCc1nc(C2CN(CCNC3CCCCC3)CCO2)n[nH]1
InChIInChI=1S/C15H27N5O/c1-12-17-15(19-18-12)14-11-20(9-10-21-14)8-7-16-13-5-3-2-4-6-13/h13-14,16H,2-11H2,1H3,(H,17,18,19)
InChIKeyAIKHBCKVHRGOHR-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.41
Rot. Bonds5

About N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine

N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine (PubChem CID 71928129) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine
PubChem CID71928129
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine
SMILESCc1nc(C2CN(CCNC3CCCCC3)CCO2)n[nH]1
InChIInChI=1S/C15H27N5O/c1-12-17-15(19-18-12)14-11-20(9-10-21-14)8-7-16-13-5-3-2-4-6-13/h13-14,16H,2-11H2,1H3,(H,17,18,19)
InChIKeyAIKHBCKVHRGOHR-UHFFFAOYSA-N
XLogP1.41
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine (CID 71928129) is N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine is Cc1nc(C2CN(CCNC3CCCCC3)CCO2)n[nH]1.
What is the InChIKey of N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine?
The InChIKey is AIKHBCKVHRGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12-17-15(19-18-12)14-11-20(9-10-21-14)8-7-16-13-5-3-2-4-6-13/h13-14,16H,2-11H2,1H3,(H,17,18,19).
What are the key properties of N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine?
N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine has a molecular weight of 293.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine is sourced from PubChem (CID 71928129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).