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

C9H13N5 — CID 157364836

IUPAC5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(NC2=CCC=C2)n1
InChIInChI=1S/C9H13N5/c1-14(2)9-11-8(12-13-9)10-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyDBNCPIPPRJCQRK-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.13
Rot. Bonds3

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

5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 157364836) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID157364836
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(NC2=CCC=C2)n1
InChIInChI=1S/C9H13N5/c1-14(2)9-11-8(12-13-9)10-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H2,10,11,12,13)
InChIKeyDBNCPIPPRJCQRK-UHFFFAOYSA-N
XLogP1.13
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-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
3-N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 145606823
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
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
CID 143560436
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-[(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-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
3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
CID 157364837
3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 157364838

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (CID 157364836) is 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is CN(C)c1n[nH]c(NC2=CCC=C2)n1.
What is the InChIKey of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is DBNCPIPPRJCQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-14(2)9-11-8(12-13-9)10-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 191.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 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,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157364836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).