5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine

C9H18N6 — CID 115437081

IUPAC5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
SMILESNCC1(c2nnc(N)n2N)CCCCC1
InChIInChI=1S/C9H18N6/c10-6-9(4-2-1-3-5-9)7-13-14-8(11)15(7)12/h1-6,10,12H2,(H2,11,14)
InChIKeyPIETWXKPGKSFNJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.27
Rot. Bonds2

About 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine

5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine (PubChem CID 115437081) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
PubChem CID115437081
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
SMILESNCC1(c2nnc(N)n2N)CCCCC1
InChIInChI=1S/C9H18N6/c10-6-9(4-2-1-3-5-9)7-13-14-8(11)15(7)12/h1-6,10,12H2,(H2,11,14)
InChIKeyPIETWXKPGKSFNJ-UHFFFAOYSA-N
XLogP-0.27
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(aminomethyl)cyclopropyl]-1,2,4-triazole-3,4-diamine
CID 115451904
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cycloheptyl]methanamine
CID 115444483
5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597167
[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
CID 113310873
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 115433694
5-(2-amino-1-methylcyclopentyl)-1,2,4-triazole-3,4-diamine
CID 82765244
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
[1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptyl]methanamine
CID 114354027
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443144

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine (CID 115437081) is 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine is NCC1(c2nnc(N)n2N)CCCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is PIETWXKPGKSFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c10-6-9(4-2-1-3-5-9)7-13-14-8(11)15(7)12/h1-6,10,12H2,(H2,11,14).
What are the key properties of 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine?
5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 210.28 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 115437081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).