4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine

C17H24N4 — CID 125438915

IUPAC4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
SMILESCCCN1CC[C@H](CNc2nnc(C)c3ccccc23)C1
InChIInChI=1S/C17H24N4/c1-3-9-21-10-8-14(12-21)11-18-17-16-7-5-4-6-15(16)13(2)19-20-17/h4-7,14H,3,8-12H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyUCTHJVXFFYKJQK-CQSZACIVSA-N
MW284.41 g/mol
LogP3.08
Rot. Bonds5

About 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine

4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine (PubChem CID 125438915) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
PubChem CID125438915
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
SMILESCCCN1CC[C@H](CNc2nnc(C)c3ccccc23)C1
InChIInChI=1S/C17H24N4/c1-3-9-21-10-8-14(12-21)11-18-17-16-7-5-4-6-15(16)13(2)19-20-17/h4-7,14H,3,8-12H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyUCTHJVXFFYKJQK-CQSZACIVSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
CID 131914653
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
CID 63541033
N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
CID 115689915
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111175277
3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62709953
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 124843608
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 84595614
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
CID 136539750

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine?
The IUPAC name of 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine (CID 125438915) is 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine is CCCN1CC[C@H](CNc2nnc(C)c3ccccc23)C1.
What is the InChIKey of 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine?
The InChIKey is UCTHJVXFFYKJQK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-9-21-10-8-14(12-21)11-18-17-16-7-5-4-6-15(16)13(2)19-20-17/h4-7,14H,3,8-12H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine?
4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine has a molecular weight of 284.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine is sourced from PubChem (CID 125438915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).