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

C11H21N5 — CID 79458750

IUPAC1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1nncn1C
InChIInChI=1S/C11H21N5/c1-8(11-15-13-7-16(11)2)14-10-5-3-4-9(12)6-10/h7-10,14H,3-6,12H2,1-2H3
InChIKeyGDKLXWJGJDFOQN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.74
Rot. Bonds3

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

1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79458750) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID79458750
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1nncn1C
InChIInChI=1S/C11H21N5/c1-8(11-15-13-7-16(11)2)14-10-5-3-4-9(12)6-10/h7-10,14H,3-6,12H2,1-2H3
InChIKeyGDKLXWJGJDFOQN-UHFFFAOYSA-N
XLogP0.74
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43703170
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482
1-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79458478
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459169
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541672
2,4,4-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106661974

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine (CID 79458750) is 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine is CC(NC1CCCC(N)C1)c1nncn1C.
What is the InChIKey of 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is GDKLXWJGJDFOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(11-15-13-7-16(11)2)14-10-5-3-4-9(12)6-10/h7-10,14H,3-6,12H2,1-2H3.
What are the key properties of 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).