5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine

C11H21N5 — CID 112597244

IUPAC5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCCCC2CN)n1C
InChIInChI=1S/C11H21N5/c1-13-11-15-14-10(16(11)2)9-6-4-3-5-8(9)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyLXAQLFLEALBLPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.09
Rot. Bonds3

About 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine

5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597244) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597244
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCCCC2CN)n1C
InChIInChI=1S/C11H21N5/c1-13-11-15-14-10(16(11)2)9-6-4-3-5-8(9)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyLXAQLFLEALBLPO-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
[2-(1-methyltetrazol-5-yl)cyclohexyl]methanamine
CID 164650237
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596424
N,4-dimethyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazol-3-amine
CID 102783762
N,4-dimethyl-5-(3-methyloxolan-2-yl)-1,2,4-triazol-3-amine
CID 112596403
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 81057520
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
CID 107186492
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597244) is 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2CCCCC2CN)n1C.
What is the InChIKey of 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is LXAQLFLEALBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-13-11-15-14-10(16(11)2)9-6-4-3-5-8(9)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).