3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine

C11H17N5 — CID 158480288

IUPAC3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(CCC1=CCC=C1)c1nnc(N)n1C
InChIInChI=1S/C11H17N5/c1-15(8-7-9-5-3-4-6-9)11-14-13-10(12)16(11)2/h3,5-6H,4,7-8H2,1-2H3,(H2,12,13)
InChIKeyYZGICNSFFVFHJX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.11
Rot. Bonds4

About 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine

3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine (PubChem CID 158480288) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
PubChem CID158480288
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(CCC1=CCC=C1)c1nnc(N)n1C
InChIInChI=1S/C11H17N5/c1-15(8-7-9-5-3-4-6-9)11-14-13-10(12)16(11)2/h3,5-6H,4,7-8H2,1-2H3,(H2,12,13)
InChIKeyYZGICNSFFVFHJX-UHFFFAOYSA-N
XLogP1.11
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine (CID 158480288) is 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine is CN(CCC1=CCC=C1)c1nnc(N)n1C.
What is the InChIKey of 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is YZGICNSFFVFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15(8-7-9-5-3-4-6-9)11-14-13-10(12)16(11)2/h3,5-6H,4,7-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclopenta-1,4-dien-1-ylethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158480288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).