5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide

C17H15N5O — CID 169403288

IUPAC5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
SMILESCc1cc(-c2n[nH]nc2C(N)=O)c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C17H15N5O/c1-8-7-11(15-16(17(18)23)21-22-20-15)9(2)13-10-5-3-4-6-12(10)19-14(8)13/h3-7,19H,1-2H3,(H2,18,23)(H,20,21,22)
InChIKeyBUOMNNZSOQAYNN-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.82
Rot. Bonds2

About 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide

5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide (PubChem CID 169403288) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
PubChem CID169403288
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
SMILESCc1cc(-c2n[nH]nc2C(N)=O)c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C17H15N5O/c1-8-7-11(15-16(17(18)23)21-22-20-15)9(2)13-10-5-3-4-6-12(10)19-14(8)13/h3-7,19H,1-2H3,(H2,18,23)(H,20,21,22)
InChIKeyBUOMNNZSOQAYNN-UHFFFAOYSA-N
XLogP2.82
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide;hydrochloride
CID 5351320
4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587133
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-(5-ethoxy-2,3-difluoro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169404803
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
CID 169402539
methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate
CID 102258357
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide (CID 169403288) is 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide is Cc1cc(-c2n[nH]nc2C(N)=O)c(C)c2c1[nH]c1ccccc12.
What is the InChIKey of 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is BUOMNNZSOQAYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-8-7-11(15-16(17(18)23)21-22-20-15)9(2)13-10-5-3-4-6-12(10)19-14(8)13/h3-7,19H,1-2H3,(H2,18,23)(H,20,21,22).
What are the key properties of 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide?
5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).