2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine

C9H14N4 — CID 146531965

IUPAC2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine
SMILESCN1C=CN(C2=C(N)C=CCC2)N1
InChIInChI=1S/C9H14N4/c1-12-6-7-13(11-12)9-5-3-2-4-8(9)10/h2,4,6-7,11H,3,5,10H2,1H3
InChIKeyNNBJLMOSTSHSDJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.64
Rot. Bonds1

About 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine

2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 146531965) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine
PubChem CID146531965
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine
SMILESCN1C=CN(C2=C(N)C=CCC2)N1
InChIInChI=1S/C9H14N4/c1-12-6-7-13(11-12)9-5-3-2-4-8(9)10/h2,4,6-7,11H,3,5,10H2,1H3
InChIKeyNNBJLMOSTSHSDJ-UHFFFAOYSA-N
XLogP0.64
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,8-Dihydrotriazolo[5,1-a]isoindol-2-amine
CID 21455319
azane;2-ethyl-1H-pyrazolo[1,5-a]pyridin-2-amine
CID 67182046
2-Cyclohexa-1,5-dien-1-yl-1,5-dihydropyrazole
CID 68070588
azane;2-methyl-1H-pyrazolo[1,5-a]pyridin-2-amine
CID 69331218
(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine
CID 89028331
(6E)-1-methyl-6-prop-2-enylidenediazinane
CID 89294262
2-Cyclohexa-1,5-dien-1-yl-1,1-dimethylhydrazine
CID 91245505
2-ethenyl-5-methylidene-3-propan-2-yl-1H-pyrazole
CID 134171666
2-Cyclohexa-1,3-dien-1-yl-1,1-dimethylhydrazine
CID 134511031
(2Z)-2-(1-aminopropylidene)pyridin-1-amine
CID 142619215
2-[Amino(butyl)amino]cyclohexa-1,3-dien-1-amine;ethane
CID 143443419
2-Methyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 143980575

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine (CID 146531965) is 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine is CN1C=CN(C2=C(N)C=CCC2)N1.
What is the InChIKey of 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is NNBJLMOSTSHSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-12-6-7-13(11-12)9-5-3-2-4-8(9)10/h2,4,6-7,11H,3,5,10H2,1H3.
What are the key properties of 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine?
2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-triazol-1-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146531965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).