N-(cyclopropylmethyl)phthalazin-1-amine

C12H13N3 — CID 43419855

IUPACN-(cyclopropylmethyl)phthalazin-1-amine
SMILESc1ccc2c(NCC3CC3)nncc2c1
InChIInChI=1S/C12H13N3/c1-2-4-11-10(3-1)8-14-15-12(11)13-7-9-5-6-9/h1-4,8-9H,5-7H2,(H,13,15)
InChIKeyIBSKICSIUSLMRV-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.45
Rot. Bonds3

About N-(cyclopropylmethyl)phthalazin-1-amine

N-(cyclopropylmethyl)phthalazin-1-amine (PubChem CID 43419855) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)phthalazin-1-amine
PubChem CID43419855
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-(cyclopropylmethyl)phthalazin-1-amine
SMILESc1ccc2c(NCC3CC3)nncc2c1
InChIInChI=1S/C12H13N3/c1-2-4-11-10(3-1)8-14-15-12(11)13-7-9-5-6-9/h1-4,8-9H,5-7H2,(H,13,15)
InChIKeyIBSKICSIUSLMRV-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)phthalazin-1-amine?
The IUPAC name of N-(cyclopropylmethyl)phthalazin-1-amine (CID 43419855) is N-(cyclopropylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)phthalazin-1-amine is c1ccc2c(NCC3CC3)nncc2c1.
What is the InChIKey of N-(cyclopropylmethyl)phthalazin-1-amine?
The InChIKey is IBSKICSIUSLMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-11-10(3-1)8-14-15-12(11)13-7-9-5-6-9/h1-4,8-9H,5-7H2,(H,13,15).
What are the key properties of N-(cyclopropylmethyl)phthalazin-1-amine?
N-(cyclopropylmethyl)phthalazin-1-amine has a molecular weight of 199.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)phthalazin-1-amine is sourced from PubChem (CID 43419855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).