N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide

C11H15N7O — CID 55166554

IUPACN'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
SMILESCn1nnnc1N(CC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C11H15N7O/c1-17-11(13-15-16-17)18(8-7-10(12)14-19)9-5-3-2-4-6-9/h2-6,19H,7-8H2,1H3,(H2,12,14)
InChIKeyJWMMNYGSGJTCDD-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.48
Rot. Bonds5

About N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide

N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide (PubChem CID 55166554) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
PubChem CID55166554
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
SMILESCn1nnnc1N(CC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C11H15N7O/c1-17-11(13-15-16-17)18(8-7-10(12)14-19)9-5-3-2-4-6-9/h2-6,19H,7-8H2,1H3,(H2,12,14)
InChIKeyJWMMNYGSGJTCDD-UHFFFAOYSA-N
XLogP0.48
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide (CID 55166554) is N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide is Cn1nnnc1N(CC/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide?
The InChIKey is JWMMNYGSGJTCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-17-11(13-15-16-17)18(8-7-10(12)14-19)9-5-3-2-4-6-9/h2-6,19H,7-8H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide?
N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide has a molecular weight of 261.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide is sourced from PubChem (CID 55166554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).