3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine

C9H13N5 — CID 157364837

IUPAC3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(C1=CCC=C1)c1nnc(N)n1C
InChIInChI=1S/C9H13N5/c1-13(7-5-3-4-6-7)9-12-11-8(10)14(9)2/h3,5-6H,4H2,1-2H3,(H2,10,11)
InChIKeyPQMYODBYDFJZLU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.68
Rot. Bonds2

About 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine

3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine (PubChem CID 157364837) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
PubChem CID157364837
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(C1=CCC=C1)c1nnc(N)n1C
InChIInChI=1S/C9H13N5/c1-13(7-5-3-4-6-7)9-12-11-8(10)14(9)2/h3,5-6H,4H2,1-2H3,(H2,10,11)
InChIKeyPQMYODBYDFJZLU-UHFFFAOYSA-N
XLogP0.68
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-Cyclopenta-1,3-dien-1-yl-1-methyl-1,2,4-triazol-4-ium
CID 102414366
5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 157364833
3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine
CID 157364834
3-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 157364835
5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 157364836
3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 157364838
5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine
CID 157364839
3-N-methyl-3-N-(4-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 158049092
3-N-methyl-3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 158049093
3-N-methyl-3-N-(2-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 158049094
3-N-(cyclopenta-1,4-dien-1-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine
CID 158302969
3-N-(cyclopenta-1,4-dien-1-ylmethyl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
CID 158302971

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine (CID 157364837) is 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine is CN(C1=CCC=C1)c1nnc(N)n1C.
What is the InChIKey of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is PQMYODBYDFJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-13(7-5-3-4-6-7)9-12-11-8(10)14(9)2/h3,5-6H,4H2,1-2H3,(H2,10,11).
What are the key properties of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 191.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157364837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).