N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine

C15H14N4 — CID 63306439

IUPACN-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine
SMILESCc1cccnc1CNc1nncc2ccccc12
InChIInChI=1S/C15H14N4/c1-11-5-4-8-16-14(11)10-17-15-13-7-3-2-6-12(13)9-18-19-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeySFYIUEIZSGAFGH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds3

About N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine

N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine (PubChem CID 63306439) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine
PubChem CID63306439
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine
SMILESCc1cccnc1CNc1nncc2ccccc12
InChIInChI=1S/C15H14N4/c1-11-5-4-8-16-14(11)10-17-15-13-7-3-2-6-12(13)9-18-19-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeySFYIUEIZSGAFGH-UHFFFAOYSA-N
XLogP2.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
N-(2-methyl-2-methylsulfonylpropyl)phthalazin-1-amine
CID 79563207
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine (CID 63306439) is N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine is Cc1cccnc1CNc1nncc2ccccc12.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine?
The InChIKey is SFYIUEIZSGAFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-5-4-8-16-14(11)10-17-15-13-7-3-2-6-12(13)9-18-19-15/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine?
N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 63306439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).