1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole

C11H9N3 — CID 91552562

IUPAC1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole
SMILESC=C=Cc1ccc(-n2cncn2)cc1
InChIInChI=1S/C11H9N3/c1-2-3-10-4-6-11(7-5-10)14-9-12-8-13-14/h3-9H,1H2
InChIKeyIFQBUPCVEBVFQD-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.07
Rot. Bonds2

About 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole

1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole (PubChem CID 91552562) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole
PubChem CID91552562
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole
SMILESC=C=Cc1ccc(-n2cncn2)cc1
InChIInChI=1S/C11H9N3/c1-2-3-10-4-6-11(7-5-10)14-9-12-8-13-14/h3-9H,1H2
InChIKeyIFQBUPCVEBVFQD-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
1-(4-isothiocyanatophenyl)-1,2,4-triazole
CID 119082517
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899
N-pentan-3-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54862710
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
3-(4-chlorophenyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
CID 74376737
2-sulfanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazolidin-4-one;hydrate
CID 53396662
1-[4-(trifluoromethylsulfanyl)phenyl]-1,2,4-triazole
CID 175197135
2,3-dihydroxy-3-[4-(1,2,4-triazol-1-yl)phenyl]propanenitrile
CID 171871498
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
1-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,2,4-triazole
CID 59380837

Frequently Asked Questions

What is the IUPAC name of 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole (CID 91552562) is 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole is C=C=Cc1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole?
The InChIKey is IFQBUPCVEBVFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-3-10-4-6-11(7-5-10)14-9-12-8-13-14/h3-9H,1H2.
What are the key properties of 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole?
1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole has a molecular weight of 183.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propa-1,2-dienylphenyl)-1,2,4-triazole is sourced from PubChem (CID 91552562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).