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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
CID 76944452
N'-hydroxy-3-[2-methoxyethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
CID 76993802
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
N'-hydroxy-3-[N-(1,3,4-thiadiazol-2-yl)anilino]propanimidamide
CID 77021390
N'-hydroxy-3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648342
N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
CID 61224912
3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
CID 76911864
N'-hydroxy-3-(N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)anilino)propanimidamide
CID 77064299
N'-hydroxy-3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570749
N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152450
3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
CID 43101626

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).