3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine

C11H21N5 — CID 58976963

IUPAC3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
SMILESCCn1nc(NCC2CCCCC2)nc1N
InChIInChI=1S/C11H21N5/c1-2-16-10(12)14-11(15-16)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,12,13,14,15)
InChIKeyJSHYXDDFVIVSNO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.87
Rot. Bonds4

About 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine

3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine (PubChem CID 58976963) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
PubChem CID58976963
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
SMILESCCn1nc(NCC2CCCCC2)nc1N
InChIInChI=1S/C11H21N5/c1-2-16-10(12)14-11(15-16)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,12,13,14,15)
InChIKeyJSHYXDDFVIVSNO-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Piperidin-4-ylethyl)-1,2,4-triazol-3-amine
CID 177800989
(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine
CID 129378731
5-bromo-N-[1-(4,4-difluorocyclohexyl)ethyl]-2-methyl-1,2,4-triazol-3-amine
CID 167794657
N,N'-bis(2-ethylhexyl)-1-(1,2,4-triazol-1-yl)methanediamine
CID 21282358
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 58883290
2-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883308
1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883347
N-(cyclohexylmethyl)-2-ethyl-1,2,4-triazol-3-amine
CID 58883367
1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine
CID 58976455
5-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
CID 58976514
1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine
CID 58976521
N-(cyclopentylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 60053084

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine (CID 58976963) is 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine is CCn1nc(NCC2CCCCC2)nc1N.
What is the InChIKey of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is JSHYXDDFVIVSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-16-10(12)14-11(15-16)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,12,13,14,15).
What are the key properties of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine?
3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).