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

C11H21N5 — CID 79741326

IUPAC4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
SMILESCn1cnnc1CCNC1CCC(N)CC1
InChIInChI=1S/C11H21N5/c1-16-8-14-15-11(16)6-7-13-10-4-2-9(12)3-5-10/h8-10,13H,2-7,12H2,1H3
InChIKeyLRMOFTMMQDYGNG-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.22
Rot. Bonds4

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

4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine (PubChem CID 79741326) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
PubChem CID79741326
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
SMILESCn1cnnc1CCNC1CCC(N)CC1
InChIInChI=1S/C11H21N5/c1-16-8-14-15-11(16)6-7-13-10-4-2-9(12)3-5-10/h8-10,13H,2-7,12H2,1H3
InChIKeyLRMOFTMMQDYGNG-UHFFFAOYSA-N
XLogP0.22
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine (CID 79741326) is 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine is Cn1cnnc1CCNC1CCC(N)CC1.
What is the InChIKey of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is LRMOFTMMQDYGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-16-8-14-15-11(16)6-7-13-10-4-2-9(12)3-5-10/h8-10,13H,2-7,12H2,1H3.
What are the key properties of 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine?
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79741326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).