3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide

C13H17N7O — CID 76911864

IUPAC3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(c1nnnn1-c1ccccc1)C1CC1)=NO
InChIInChI=1S/C13H17N7O/c14-12(16-21)8-9-19(10-6-7-10)13-15-17-18-20(13)11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H2,14,16)
InChIKeyGWSNQMUWGLRJES-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.77
Rot. Bonds6

About 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911864) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
PubChem CID76911864
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(c1nnnn1-c1ccccc1)C1CC1)=NO
InChIInChI=1S/C13H17N7O/c14-12(16-21)8-9-19(10-6-7-10)13-15-17-18-20(13)11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H2,14,16)
InChIKeyGWSNQMUWGLRJES-UHFFFAOYSA-N
XLogP0.77
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.77
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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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
CID 63388458
ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
CID 62006681
3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide
CID 76911806
N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
CID 77013636
2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
CID 43656375
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
CID 54997535
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501
N'-hydroxy-3-(N-(1-methyltetrazol-5-yl)anilino)propanimidamide
CID 55166554
3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
CID 54997431
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79118869
2-[methyl-(1-phenyltetrazol-5-yl)amino]cyclohexan-1-ol
CID 102636016
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide (CID 76911864) is 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide is NC(CCN(c1nnnn1-c1ccccc1)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is GWSNQMUWGLRJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c14-12(16-21)8-9-19(10-6-7-10)13-15-17-18-20(13)11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H2,14,16).
What are the key properties of 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 287.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).