3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine

C8H11N5 — CID 158049091

IUPAC3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC1=CCC=C1Nc1n[nH]c(N)n1
InChIInChI=1S/C8H11N5/c1-5-3-2-4-6(5)10-8-11-7(9)12-13-8/h3-4H,2H2,1H3,(H4,9,10,11,12,13)
InChIKeyTZBXFGBVUYILPT-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.03
Rot. Bonds2

About 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine

3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 158049091) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID158049091
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC1=CCC=C1Nc1n[nH]c(N)n1
InChIInChI=1S/C8H11N5/c1-5-3-2-4-6(5)10-8-11-7(9)12-13-8/h3-4H,2H2,1H3,(H4,9,10,11,12,13)
InChIKeyTZBXFGBVUYILPT-UHFFFAOYSA-N
XLogP1.03
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

benzene;3-N-(3-chloro-5-methylbenzene-4-id-1-yl)-1H-1,2,4-triazole-3,5-diamine;sulfur monoxide;yttrium
CID 159128422
3-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 157361951
3-N-methyl-3-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 157361952
3-N,3-N-dimethyl-5-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 157361953
3-N,3-N-dimethyl-5-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 157361954
3-N-cyclopenta-1,4-dien-1-yl-1H-1,2,4-triazole-3,5-diamine
CID 157364832
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-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
3-N-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 157540387
3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 158046405

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine (CID 158049091) is 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine is CC1=CCC=C1Nc1n[nH]c(N)n1.
What is the InChIKey of 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is TZBXFGBVUYILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-3-2-4-6(5)10-8-11-7(9)12-13-8/h3-4H,2H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 177.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158049091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).