4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine

C17H18N4 — CID 115375506

IUPAC4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine
SMILESCCCNc1nnc(-c2cncc(C)c2)c2ccccc12
InChIInChI=1S/C17H18N4/c1-3-8-19-17-15-7-5-4-6-14(15)16(20-21-17)13-9-12(2)10-18-11-13/h4-7,9-11H,3,8H2,1-2H3,(H,19,21)
InChIKeyWJQPTUHTTIZHPL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.82
Rot. Bonds4

About 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine

4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine (PubChem CID 115375506) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine.

Molecular Properties

Compound Name4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine
PubChem CID115375506
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine
SMILESCCCNc1nnc(-c2cncc(C)c2)c2ccccc12
InChIInChI=1S/C17H18N4/c1-3-8-19-17-15-7-5-4-6-14(15)16(20-21-17)13-9-12(2)10-18-11-13/h4-7,9-11H,3,8H2,1-2H3,(H,19,21)
InChIKeyWJQPTUHTTIZHPL-UHFFFAOYSA-N
XLogP3.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191456
1-N-propylphthalazine-1,4-diamine
CID 90689630
3-[[4-(4-methylphenyl)phthalazin-1-yl]amino]propanoic acid
CID 82192890
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
N-butyl-4-methylphthalazin-1-amine
CID 43395112
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191458
3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
CID 11140131
N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
CID 79991770
N-[4-(3,4-dimethylphenyl)phthalazin-1-yl]-N',N'-dimethylpropane-1,3-diamine;oxalic acid
CID 45042443

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine?
The IUPAC name of 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine (CID 115375506) is 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine.
What is the SMILES notation for 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine?
The canonical SMILES for 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine is CCCNc1nnc(-c2cncc(C)c2)c2ccccc12.
What is the InChIKey of 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine?
The InChIKey is WJQPTUHTTIZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-8-19-17-15-7-5-4-6-14(15)16(20-21-17)13-9-12(2)10-18-11-13/h4-7,9-11H,3,8H2,1-2H3,(H,19,21).
What are the key properties of 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine?
4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine is sourced from PubChem (CID 115375506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).