N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine

C11H11N5 — CID 12785699

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine
SMILESc1ccc2c(NC3=NCCN3)nncc2c1
InChIInChI=1S/C11H11N5/c1-2-4-9-8(3-1)7-14-16-10(9)15-11-12-5-6-13-11/h1-4,7H,5-6H2,(H2,12,13,15,16)
InChIKeyCCWMMCUNFROYKD-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.00
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine

N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine (PubChem CID 12785699) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine
PubChem CID12785699
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine
SMILESc1ccc2c(NC3=NCCN3)nncc2c1
InChIInChI=1S/C11H11N5/c1-2-4-9-8(3-1)7-14-16-10(9)15-11-12-5-6-13-11/h1-4,7H,5-6H2,(H2,12,13,15,16)
InChIKeyCCWMMCUNFROYKD-UHFFFAOYSA-N
XLogP1.00
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine (CID 12785699) is N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine is c1ccc2c(NC3=NCCN3)nncc2c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine?
The InChIKey is CCWMMCUNFROYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-2-4-9-8(3-1)7-14-16-10(9)15-11-12-5-6-13-11/h1-4,7H,5-6H2,(H2,12,13,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine has a molecular weight of 213.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)phthalazin-1-amine is sourced from PubChem (CID 12785699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).