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

C8H11N5 — CID 157364833

IUPAC5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(NC2=CCC=C2)n1
InChIInChI=1S/C8H11N5/c1-9-7-11-8(13-12-7)10-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H3,9,10,11,12,13)
InChIKeyNUEIKMSLOPAMER-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.10
Rot. Bonds3

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

5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 157364833) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID157364833
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(NC2=CCC=C2)n1
InChIInChI=1S/C8H11N5/c1-9-7-11-8(13-12-7)10-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H3,9,10,11,12,13)
InChIKeyNUEIKMSLOPAMER-UHFFFAOYSA-N
XLogP1.10
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

ethane;N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
CID 143560435
5-N-cyclohexa-1,3-dien-1-yl-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine
CID 164022067
3-N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-3,5-diamine
CID 116038200
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
CID 143560436
3-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 157088249
3-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 157361951
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
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,4-dimethyl-1,2,4-triazole-3,5-diamine
CID 157364837

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 157364833) is 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CNc1n[nH]c(NC2=CCC=C2)n1.
What is the InChIKey of 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is NUEIKMSLOPAMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-9-7-11-8(13-12-7)10-6-4-2-3-5-6/h2,4-5H,3H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 177.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157364833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).