N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide

C17H20N6O — CID 125431910

IUPACN-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H20N6O/c24-16(9-4-10-23-11-18-21-22-23)19-15-8-3-6-13-12-5-1-2-7-14(12)20-17(13)15/h1-2,5,7,11,15,20H,3-4,6,8-10H2,(H,19,24)/t15-/m0/s1
InChIKeyHYHOWAYRKQZNQD-HNNXBMFYSA-N
MW324.39 g/mol
LogP2.13
Rot. Bonds5

About N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide

N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide (PubChem CID 125431910) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
PubChem CID125431910
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H20N6O/c24-16(9-4-10-23-11-18-21-22-23)19-15-8-3-6-13-12-5-1-2-7-14(12)20-17(13)15/h1-2,5,7,11,15,20H,3-4,6,8-10H2,(H,19,24)/t15-/m0/s1
InChIKeyHYHOWAYRKQZNQD-HNNXBMFYSA-N
XLogP2.13
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 110205202
N-[6-oxo-6-[[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]hexyl]pyrazine-2-carboxamide
CID 126417795
3-(4-oxo-3H-quinazolin-2-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 135639778
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 99755071
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pentanamide
CID 124878863
3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
CID 99755073
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(tetrazol-1-yl)benzamide
CID 75490473
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(tetrazol-1-yl)benzamide
CID 97496892
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
CID 75489434

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide (CID 125431910) is N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)N[C@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is HYHOWAYRKQZNQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-16(9-4-10-23-11-18-21-22-23)19-15-8-3-6-13-12-5-1-2-7-14(12)20-17(13)15/h1-2,5,7,11,15,20H,3-4,6,8-10H2,(H,19,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide?
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 324.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125431910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).