(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine

C3H5N5O — CID 136920505

IUPAC(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine
SMILESCn1nnnc1/C=N/O
InChIInChI=1S/C3H5N5O/c1-8-3(2-4-9)5-6-7-8/h2,9H,1H3/b4-2+
InChIKeyLUPFKLHOXWMNHA-DUXPYHPUSA-N
MW127.11 g/mol
LogP-0.98
Rot. Bonds1

About (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine (PubChem CID 136920505) has the molecular formula C3H5N5O and a molecular weight of 127.11 g/mol. Its IUPAC name is (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine
PubChem CID136920505
Molecular FormulaC3H5N5O
Molecular Weight127.11 g/mol
Exact Mass127.05
IUPAC Name(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine
SMILESCn1nnnc1/C=N/O
InChIInChI=1S/C3H5N5O/c1-8-3(2-4-9)5-6-7-8/h2,9H,1H3/b4-2+
InChIKeyLUPFKLHOXWMNHA-DUXPYHPUSA-N
XLogP-0.98
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(1-methyltetrazol-5-yl)ethanol
CID 119098788
N-[(1,4-dimethylimidazol-2-yl)methylidene]hydroxylamine
CID 171148041
5-fluoro-1-methyltetrazole
CID 69031674
1-methyltetrazole-5-thiolate;tungsten
CID 170791029
1,5-dimethyltetrazole;hydrofluoride
CID 153359282
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
CID 144635454
N-[(1,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
CID 784975
(Z)-N-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 6182061
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
CID 115015041
3-(1-methyltetrazol-5-yl)butan-2-ol
CID 63204940

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine (CID 136920505) is (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine is Cn1nnnc1/C=N/O.
What is the InChIKey of (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine?
The InChIKey is LUPFKLHOXWMNHA-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H5N5O/c1-8-3(2-4-9)5-6-7-8/h2,9H,1H3/b4-2+.
What are the key properties of (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine has a molecular weight of 127.11 g/mol, XLogP of -0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136920505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).