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

C13H27N5 — CID 91355626

IUPAC3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane
SMILESCC.CCn1nc(NCC2CCCCC2)nc1N
InChIInChI=1S/C11H21N5.C2H6/c1-2-16-10(12)14-11(15-16)13-8-9-6-4-3-5-7-9;1-2/h9H,2-8H2,1H3,(H3,12,13,14,15);1-2H3
InChIKeyZZPUOQSIHCEQRD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.90
Rot. Bonds4

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

3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane (PubChem CID 91355626) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane
PubChem CID91355626
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane
SMILESCC.CCn1nc(NCC2CCCCC2)nc1N
InChIInChI=1S/C11H21N5.C2H6/c1-2-16-10(12)14-11(15-16)13-8-9-6-4-3-5-7-9;1-2/h9H,2-8H2,1H3,(H3,12,13,14,15);1-2H3
InChIKeyZZPUOQSIHCEQRD-UHFFFAOYSA-N
XLogP2.90
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.90
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
3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
CID 58976963

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane?
The IUPAC name of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane (CID 91355626) is 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane?
The canonical SMILES for 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane is CC.CCn1nc(NCC2CCCCC2)nc1N.
What is the InChIKey of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane?
The InChIKey is ZZPUOQSIHCEQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.C2H6/c1-2-16-10(12)14-11(15-16)13-8-9-6-4-3-5-7-9;1-2/h9H,2-8H2,1H3,(H3,12,13,14,15);1-2H3.
What are the key properties of 3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane?
3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine;ethane has a molecular weight of 253.39 g/mol, XLogP of 2.90, 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;ethane is sourced from PubChem (CID 91355626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).