1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

C17H15N5 — CID 781157

IUPAC1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCn1c2ccccc2c2cc(C=Nn3cnnc3)ccc21
InChIInChI=1S/C17H15N5/c1-2-22-16-6-4-3-5-14(16)15-9-13(7-8-17(15)22)10-20-21-11-18-19-12-21/h3-12H,2H2,1H3
InChIKeyQARNUFOLNOGNGQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.29
Rot. Bonds3

About 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 781157) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID781157
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCn1c2ccccc2c2cc(C=Nn3cnnc3)ccc21
InChIInChI=1S/C17H15N5/c1-2-22-16-6-4-3-5-14(16)15-9-13(7-8-17(15)22)10-20-21-11-18-19-12-21/h3-12H,2H2,1H3
InChIKeyQARNUFOLNOGNGQ-UHFFFAOYSA-N
XLogP3.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine
CID 78146609
1-(9-ethylcarbazol-3-yl)-N-(2-methyl-2,3-dihydroindol-1-yl)methanimine
CID 44630286
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
CID 12752582
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine
CID 6873146
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
(Z)-1-(9-ethylcarbazol-3-yl)-N-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
CID 172983137
2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol
CID 132560861
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
CID 23989157
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 781157) is 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is CCn1c2ccccc2c2cc(C=Nn3cnnc3)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is QARNUFOLNOGNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-22-16-6-4-3-5-14(16)15-9-13(7-8-17(15)22)10-20-21-11-18-19-12-21/h3-12H,2H2,1H3.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 289.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 781157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).