1-methyltetrazole;5-nitro-2H-tetrazole

C3H5N9O2 — CID 146465693

IUPAC1-methyltetrazole;5-nitro-2H-tetrazole
SMILESCn1cnnn1.O=[N+]([O-])c1nn[nH]n1
InChIInChI=1S/C2H4N4.CHN5O2/c1-6-2-3-4-5-6;7-6(8)1-2-4-5-3-1/h2H,1H3;(H,2,3,4,5)
InChIKeyMNFHXQYGBAYEBI-UHFFFAOYSA-N
MW199.13 g/mol
LogP-1.68
Rot. Bonds1

About 1-methyltetrazole;5-nitro-2H-tetrazole

1-methyltetrazole;5-nitro-2H-tetrazole (PubChem CID 146465693) has the molecular formula C3H5N9O2 and a molecular weight of 199.13 g/mol. Its IUPAC name is 1-methyltetrazole;5-nitro-2H-tetrazole.

Molecular Properties

Compound Name1-methyltetrazole;5-nitro-2H-tetrazole
PubChem CID146465693
Molecular FormulaC3H5N9O2
Molecular Weight199.13 g/mol
Exact Mass199.06
IUPAC Name1-methyltetrazole;5-nitro-2H-tetrazole
SMILESCn1cnnn1.O=[N+]([O-])c1nn[nH]n1
InChIInChI=1S/C2H4N4.CHN5O2/c1-6-2-3-4-5-6;7-6(8)1-2-4-5-3-1/h2H,1H3;(H,2,3,4,5)
InChIKeyMNFHXQYGBAYEBI-UHFFFAOYSA-N
XLogP-1.68
TPSA141.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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CID 159499881
sodium;hydride;5-nitro-2H-tetrazole
CID 173097476
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CID 14415266
(E)-bis[5-nitro-2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]diazene
CID 139178749
1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine
CID 132513692
sodium 1-nitrotetrazole
CID 23699658
[4-(tetrazol-1-yl)phenyl] 1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxylate
CID 52734658
N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47283216
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide
CID 4694736
5-[difluoro(nitro)methyl]-2H-tetrazole
CID 2827682
N-[(2-methyltetrazol-5-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 107042182
2-fluoro-5-nitrotetrazole
CID 69030732

Frequently Asked Questions

What is the IUPAC name of 1-methyltetrazole;5-nitro-2H-tetrazole?
The IUPAC name of 1-methyltetrazole;5-nitro-2H-tetrazole (CID 146465693) is 1-methyltetrazole;5-nitro-2H-tetrazole.
What is the SMILES notation for 1-methyltetrazole;5-nitro-2H-tetrazole?
The canonical SMILES for 1-methyltetrazole;5-nitro-2H-tetrazole is Cn1cnnn1.O=[N+]([O-])c1nn[nH]n1.
What is the InChIKey of 1-methyltetrazole;5-nitro-2H-tetrazole?
The InChIKey is MNFHXQYGBAYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.CHN5O2/c1-6-2-3-4-5-6;7-6(8)1-2-4-5-3-1/h2H,1H3;(H,2,3,4,5).
What are the key properties of 1-methyltetrazole;5-nitro-2H-tetrazole?
1-methyltetrazole;5-nitro-2H-tetrazole has a molecular weight of 199.13 g/mol, XLogP of -1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltetrazole;5-nitro-2H-tetrazole is sourced from PubChem (CID 146465693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).