(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C17H14ClN5O — CID 97266964

IUPAC(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ncn[nH]1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C17H14ClN5O/c1-9(16(24)22-17-19-8-20-23-17)10-2-4-12-13-7-11(18)3-5-14(13)21-15(12)6-10/h2-9,21H,1H3,(H2,19,20,22,23,24)/t9-/m0/s1
InChIKeyJCQDDHQHPPQJAA-VIFPVBQESA-N
MW339.79 g/mol
LogP3.83
Rot. Bonds3

About (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 97266964) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID97266964
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ncn[nH]1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C17H14ClN5O/c1-9(16(24)22-17-19-8-20-23-17)10-2-4-12-13-7-11(18)3-5-14(13)21-15(12)6-10/h2-9,21H,1H3,(H2,19,20,22,23,24)/t9-/m0/s1
InChIKeyJCQDDHQHPPQJAA-VIFPVBQESA-N
XLogP3.83
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 41062772
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(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
CID 41010161
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
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(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 41087768
2-(6-chloro-9H-carbazol-2-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 71710526
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 40918719
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;tris(4-pyridin-4-ylpyridine)
CID 139196134
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
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1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 97266964) is (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is C[C@H](C(=O)Nc1ncn[nH]1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is JCQDDHQHPPQJAA-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-9(16(24)22-17-19-8-20-23-17)10-2-4-12-13-7-11(18)3-5-14(13)21-15(12)6-10/h2-9,21H,1H3,(H2,19,20,22,23,24)/t9-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 339.79 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 97266964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).