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

C10H15N5 — CID 157364839

IUPAC5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1nnc(NC2=CCC=C2)n1C
InChIInChI=1S/C10H15N5/c1-14(2)10-13-12-9(15(10)3)11-8-6-4-5-7-8/h4,6-7H,5H2,1-3H3,(H,11,12)
InChIKeySGTRMULTZJVDRC-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.14
Rot. Bonds3

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

5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine (PubChem CID 157364839) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine
PubChem CID157364839
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1nnc(NC2=CCC=C2)n1C
InChIInChI=1S/C10H15N5/c1-14(2)10-13-12-9(15(10)3)11-8-6-4-5-7-8/h4,6-7H,5H2,1-3H3,(H,11,12)
InChIKeySGTRMULTZJVDRC-UHFFFAOYSA-N
XLogP1.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-N-methyl-1,2,4-triazole-3,5-diamine
CID 142899562
(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine
CID 143413627
N-methyl-4-(1,2,4-triazol-1-yl)cyclohepta-1,3,6-trien-1-amine
CID 143413658
N-methyl-4-(1,2,4-triazol-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 143413723
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,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
3-N,3-N-dimethyl-5-N-(4-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 158049095
3-N,3-N-dimethyl-5-N-(2-methylcyclopenta-1,4-dien-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 158049096

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine (CID 157364839) is 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-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,4-trimethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine is CN(C)c1nnc(NC2=CCC=C2)n1C.
What is the InChIKey of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is SGTRMULTZJVDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-14(2)10-13-12-9(15(10)3)11-8-6-4-5-7-8/h4,6-7H,5H2,1-3H3,(H,11,12).
What are the key properties of 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine?
5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 205.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157364839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).