N-nitro-2H-tetrazole-5-carboxamide

C2H2N6O3 — CID 170844684

IUPACN-nitro-2H-tetrazole-5-carboxamide
SMILESO=C(N[N+](=O)[O-])c1nn[nH]n1
InChIInChI=1S/C2H2N6O3/c9-2(5-8(10)11)1-3-6-7-4-1/h(H,5,9)(H,3,4,6,7)
InChIKeyWCLXOTZMTCXTQP-UHFFFAOYSA-N
MW158.08 g/mol
LogP-1.88
Rot. Bonds2

About N-nitro-2H-tetrazole-5-carboxamide

N-nitro-2H-tetrazole-5-carboxamide (PubChem CID 170844684) has the molecular formula C2H2N6O3 and a molecular weight of 158.08 g/mol. Its IUPAC name is N-nitro-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-nitro-2H-tetrazole-5-carboxamide
PubChem CID170844684
Molecular FormulaC2H2N6O3
Molecular Weight158.08 g/mol
Exact Mass158.02
IUPAC NameN-nitro-2H-tetrazole-5-carboxamide
SMILESO=C(N[N+](=O)[O-])c1nn[nH]n1
InChIInChI=1S/C2H2N6O3/c9-2(5-8(10)11)1-3-6-7-4-1/h(H,5,9)(H,3,4,6,7)
InChIKeyWCLXOTZMTCXTQP-UHFFFAOYSA-N
XLogP-1.88
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.08
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
CID 104668311
2H-tetrazole-5-carbothioic S-acid
CID 175821509
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
N-pent-1-yn-3-yl-2H-tetrazole-5-carboxamide
CID 106231075
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
N-(thiadiazol-5-yl)-2H-tetrazole-5-carboxamide
CID 114913673
2-(2H-tetrazol-5-yl)prop-2-enamide
CID 154333734
N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 107577373
N-(3-methylcyclopentyl)-2H-tetrazole-5-carboxamide
CID 114549630
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
CID 114388978
(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
CID 104897054

Frequently Asked Questions

What is the IUPAC name of N-nitro-2H-tetrazole-5-carboxamide?
The IUPAC name of N-nitro-2H-tetrazole-5-carboxamide (CID 170844684) is N-nitro-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-nitro-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-nitro-2H-tetrazole-5-carboxamide is O=C(N[N+](=O)[O-])c1nn[nH]n1.
What is the InChIKey of N-nitro-2H-tetrazole-5-carboxamide?
The InChIKey is WCLXOTZMTCXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N6O3/c9-2(5-8(10)11)1-3-6-7-4-1/h(H,5,9)(H,3,4,6,7).
What are the key properties of N-nitro-2H-tetrazole-5-carboxamide?
N-nitro-2H-tetrazole-5-carboxamide has a molecular weight of 158.08 g/mol, XLogP of -1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitro-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 170844684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).