2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide

C19H20N6O — CID 91182343

IUPAC2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide
SMILESCCCCC(C(N)=O)n1c2ccccc2c2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C19H20N6O/c1-2-3-7-17(18(20)26)25-15-8-5-4-6-13(15)14-11-12(9-10-16(14)25)19-21-23-24-22-19/h4-6,8-11,17H,2-3,7H2,1H3,(H2,20,26)(H,21,22,23,24)
InChIKeyFLBAOSBFELUXRH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.19
Rot. Bonds6

About 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide

2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide (PubChem CID 91182343) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide.

Molecular Properties

Compound Name2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide
PubChem CID91182343
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide
SMILESCCCCC(C(N)=O)n1c2ccccc2c2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C19H20N6O/c1-2-3-7-17(18(20)26)25-15-8-5-4-6-13(15)14-11-12(9-10-16(14)25)19-21-23-24-22-19/h4-6,8-11,17H,2-3,7H2,1H3,(H2,20,26)(H,21,22,23,24)
InChIKeyFLBAOSBFELUXRH-UHFFFAOYSA-N
XLogP3.19
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
dimethyl (2S)-2-[[2-ethyl-5-methyl-6-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanoyl]amino]butanedioate
CID 143165775
9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457084
2-[2-(diethylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]octanoic acid
CID 139633883
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
CID 57457097
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457101
2-[3-bromo-5-[2-(2H-tetrazol-5-yl)phenyl]indol-1-yl]oct-2-enoic acid
CID 67772078
2-pyrrol-1-ylhexanamide
CID 175737735
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)-2-methylpentanamide;N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-3-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide;(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]-N-methylpentanamide
CID 161109236
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide?
The IUPAC name of 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide (CID 91182343) is 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide.
What is the SMILES notation for 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide?
The canonical SMILES for 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide is CCCCC(C(N)=O)n1c2ccccc2c2cc(-c3nn[nH]n3)ccc21.
What is the InChIKey of 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide?
The InChIKey is FLBAOSBFELUXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-3-7-17(18(20)26)25-15-8-5-4-6-13(15)14-11-12(9-10-16(14)25)19-21-23-24-22-19/h4-6,8-11,17H,2-3,7H2,1H3,(H2,20,26)(H,21,22,23,24).
What are the key properties of 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide?
2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide has a molecular weight of 348.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide is sourced from PubChem (CID 91182343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).