N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide

C13H12N8O3 — CID 674613

IUPACN-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide
SMILESCC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H12N8O3/c1-8(7-20-18-13(17-19-20)21(23)24)15-16-12(22)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,16,22)
InChIKeyGQSAVLJZPDPNGO-UHFFFAOYSA-N
MW328.29 g/mol
LogP0.87
Rot. Bonds5

About N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide

N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide (PubChem CID 674613) has the molecular formula C13H12N8O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide
PubChem CID674613
Molecular FormulaC13H12N8O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC NameN-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide
SMILESCC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H12N8O3/c1-8(7-20-18-13(17-19-20)21(23)24)15-16-12(22)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,16,22)
InChIKeyGQSAVLJZPDPNGO-UHFFFAOYSA-N
XLogP0.87
TPSA143.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-phenylacetamide
CID 5341365
4-methyl-N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 576935
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]thiophene-2-carboxamide
CID 5091388
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
2-iodo-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
CID 1219191
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
CID 67661934
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide (CID 674613) is N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide is CC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide?
The InChIKey is GQSAVLJZPDPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8O3/c1-8(7-20-18-13(17-19-20)21(23)24)15-16-12(22)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,16,22).
What are the key properties of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide?
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 674613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).