(NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine

C9H11N5O — CID 137277631

IUPAC(NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCn1cc(/C(=N/O)c2nccn2C)cn1
InChIInChI=1S/C9H11N5O/c1-13-4-3-10-9(13)8(12-15)7-5-11-14(2)6-7/h3-6,15H,1-2H3/b12-8-
InChIKeyYTZSPSFTVDZWPS-WQLSENKSSA-N
MW205.22 g/mol
LogP0.38
Rot. Bonds2

About (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine

(NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 137277631) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID137277631
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCn1cc(/C(=N/O)c2nccn2C)cn1
InChIInChI=1S/C9H11N5O/c1-13-4-3-10-9(13)8(12-15)7-5-11-14(2)6-7/h3-6,15H,1-2H3/b12-8-
InChIKeyYTZSPSFTVDZWPS-WQLSENKSSA-N
XLogP0.38
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine (CID 137277631) is (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine is Cn1cc(/C(=N/O)c2nccn2C)cn1.
What is the InChIKey of (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is YTZSPSFTVDZWPS-WQLSENKSSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-4-3-10-9(13)8(12-15)7-5-11-14(2)6-7/h3-6,15H,1-2H3/b12-8-.
What are the key properties of (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine?
(NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 205.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-methylimidazol-2-yl)-(1-methylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137277631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).