4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine

C15H20N4 — CID 60659900

IUPAC4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
SMILESCc1nnc(NCCN2CCCC2)c2ccccc12
InChIInChI=1S/C15H20N4/c1-12-13-6-2-3-7-14(13)15(18-17-12)16-8-11-19-9-4-5-10-19/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,18)
InChIKeyICVQHTNLWLLEEK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.45
Rot. Bonds4

About 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine

4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine (PubChem CID 60659900) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
PubChem CID60659900
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
SMILESCc1nnc(NCCN2CCCC2)c2ccccc12
InChIInChI=1S/C15H20N4/c1-12-13-6-2-3-7-14(13)15(18-17-12)16-8-11-19-9-4-5-10-19/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,18)
InChIKeyICVQHTNLWLLEEK-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
CID 131914653
N-butyl-4-methylphthalazin-1-amine
CID 43395112
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
1-N,4-N-bis[2-(aziridin-1-yl)ethyl]benzo[g]phthalazine-1,4-diamine
CID 19811426
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
N-(6-chlorohexyl)-4-methylphthalazin-1-amine
CID 107846136
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
CID 125438915
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine (CID 60659900) is 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine is Cc1nnc(NCCN2CCCC2)c2ccccc12.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
The InChIKey is ICVQHTNLWLLEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-13-6-2-3-7-14(13)15(18-17-12)16-8-11-19-9-4-5-10-19/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 60659900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).