5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine

C10H15N5 — CID 163556830

IUPAC5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(NCC2=CC=CCC2)n1
InChIInChI=1S/C10H15N5/c1-11-9-13-10(15-14-9)12-7-8-5-3-2-4-6-8/h2-3,5H,4,6-7H2,1H3,(H3,11,12,13,14,15)
InChIKeyFNUFVOWKMCOVOS-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.53
Rot. Bonds4

About 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine

5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 163556830) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID163556830
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(NCC2=CC=CCC2)n1
InChIInChI=1S/C10H15N5/c1-11-9-13-10(15-14-9)12-7-8-5-3-2-4-6-8/h2-3,5H,4,6-7H2,1H3,(H3,11,12,13,14,15)
InChIKeyFNUFVOWKMCOVOS-UHFFFAOYSA-N
XLogP1.53
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine with MolForge

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Related Compounds

3-N,5-N-dimethyl-3-N-[2-(4-methyl-5-methylidenecyclopenta-1,3-dien-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 123224260
3-N-(2-cyclohepta-1,6-dien-1-ylethyl)-1H-1,2,4-triazole-3,5-diamine
CID 123720499
cyclohepta-1,3-dien-1-ylmethyl-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-dimethylazanium
CID 123965054
5-N-(3-cyclohepta-1,3,5-trien-1-ylpropyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 145606810
3-N-(cyclohepta-1,3,6-trien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 145606823
3-N-cyclohex-3-en-1-yl-1H-1,2,4-triazole-3,5-diamine
CID 66275399
3-N-[2-(cyclohexen-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276265
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106174357
3-N-(cyclohex-3-en-1-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 130596868
3-N-(cyclohexen-1-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 130949232
5-N-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 145606838
3-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 157088249

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine (CID 163556830) is 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is CNc1n[nH]c(NCC2=CC=CCC2)n1.
What is the InChIKey of 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is FNUFVOWKMCOVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-11-9-13-10(15-14-9)12-7-8-5-3-2-4-6-8/h2-3,5H,4,6-7H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine?
5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 205.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 163556830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).