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

C14H17N5O — CID 76911806

IUPAC3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(c1nncc2ccccc12)C1CC1)=NO
InChIInChI=1S/C14H17N5O/c15-13(18-20)7-8-19(11-5-6-11)14-12-4-2-1-3-10(12)9-16-17-14/h1-4,9,11,20H,5-8H2,(H2,15,18)
InChIKeyUNUVHQDZJARURM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.74
Rot. Bonds5

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

3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911806) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide
PubChem CID76911806
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(c1nncc2ccccc12)C1CC1)=NO
InChIInChI=1S/C14H17N5O/c15-13(18-20)7-8-19(11-5-6-11)14-12-4-2-1-3-10(12)9-16-17-14/h1-4,9,11,20H,5-8H2,(H2,15,18)
InChIKeyUNUVHQDZJARURM-UHFFFAOYSA-N
XLogP1.74
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide (CID 76911806) is 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide is NC(CCN(c1nncc2ccccc12)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is UNUVHQDZJARURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-13(18-20)7-8-19(11-5-6-11)14-12-4-2-1-3-10(12)9-16-17-14/h1-4,9,11,20H,5-8H2,(H2,15,18).
What are the key properties of 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 271.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(phthalazin-1-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).