N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine

C8H8N6O2 — CID 10822772

IUPACN-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine
SMILESCN(c1cccc([N+](=O)[O-])c1)c1nn[nH]n1
InChIInChI=1S/C8H8N6O2/c1-13(8-9-11-12-10-8)6-3-2-4-7(5-6)14(15)16/h2-5H,1H3,(H,9,10,11,12)
InChIKeyCJFRQJBXFZQJKQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.88
Rot. Bonds3

About N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine

N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine (PubChem CID 10822772) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine
PubChem CID10822772
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC NameN-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine
SMILESCN(c1cccc([N+](=O)[O-])c1)c1nn[nH]n1
InChIInChI=1S/C8H8N6O2/c1-13(8-9-11-12-10-8)6-3-2-4-7(5-6)14(15)16/h2-5H,1H3,(H,9,10,11,12)
InChIKeyCJFRQJBXFZQJKQ-UHFFFAOYSA-N
XLogP0.88
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
CID 140995398
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
1,1-bis(3-nitrophenyl)guanidine
CID 54492138
N,N-dichloro-3-nitroaniline
CID 119097534
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 59431971
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
1-(3-methylphenyl)-1-(3-nitrophenyl)urea
CID 175036473
ethyl 3-amino-2-cyano-3-(N-methyl-3-nitroanilino)prop-2-enoate
CID 70599664
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline
CID 173013317
N-methyl-3-nitro-N-[(3-nitrophenyl)diazenyl]aniline
CID 4008195

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine?
The IUPAC name of N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine (CID 10822772) is N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine is CN(c1cccc([N+](=O)[O-])c1)c1nn[nH]n1.
What is the InChIKey of N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine?
The InChIKey is CJFRQJBXFZQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-13(8-9-11-12-10-8)6-3-2-4-7(5-6)14(15)16/h2-5H,1H3,(H,9,10,11,12).
What are the key properties of N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine?
N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine has a molecular weight of 220.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 10822772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).