(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine

C6H7N7O2 — CID 135600943

IUPAC(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1nnn(-c2nonc2C)n1
InChIInChI=1S/C6H7N7O2/c1-3(9-14)5-7-12-13(8-5)6-4(2)10-15-11-6/h14H,1-2H3/b9-3-
InChIKeyVYXQKUBLZAGREZ-OQFOIZHKSA-N
MW209.17 g/mol
LogP-0.45
Rot. Bonds2

About (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine (PubChem CID 135600943) has the molecular formula C6H7N7O2 and a molecular weight of 209.17 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine
PubChem CID135600943
Molecular FormulaC6H7N7O2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1nnn(-c2nonc2C)n1
InChIInChI=1S/C6H7N7O2/c1-3(9-14)5-7-12-13(8-5)6-4(2)10-15-11-6/h14H,1-2H3/b9-3-
InChIKeyVYXQKUBLZAGREZ-OQFOIZHKSA-N
XLogP-0.45
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
CID 75530610
N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine
CID 71439045
1-(8-acetyl-5,11-dioxa-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-yl)ethanone
CID 536728
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(1-pyridin-4-ylethylideneamino)triazole-4-carboxamide
CID 3772279
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-5-methyltriazole-4-carboxamide
CID 135625899
(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
CID 35584031
1-[(E)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-2-nitroguanidine
CID 135479862
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone
CID 538912
ethyl 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxylate
CID 156769939
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(1-pyridin-3-ylethylideneamino)triazole-4-carboxamide
CID 3761205
(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
CID 136983537
4-[(Z)-N-[(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136861420

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine (CID 135600943) is (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine is C/C(=N/O)c1nnn(-c2nonc2C)n1.
What is the InChIKey of (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine?
The InChIKey is VYXQKUBLZAGREZ-OQFOIZHKSA-N. The full InChI is InChI=1S/C6H7N7O2/c1-3(9-14)5-7-12-13(8-5)6-4(2)10-15-11-6/h14H,1-2H3/b9-3-.
What are the key properties of (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine has a molecular weight of 209.17 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)tetrazol-5-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 135600943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).