N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine

C16H23N5 — CID 63266342

IUPACN,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine
SMILESCc1nnc(N(C)CCN2CCNCC2)c2ccccc12
InChIInChI=1S/C16H23N5/c1-13-14-5-3-4-6-15(14)16(19-18-13)20(2)11-12-21-9-7-17-8-10-21/h3-6,17H,7-12H2,1-2H3
InChIKeyYWHHXFNFCHBLQP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.28
Rot. Bonds4

About N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine

N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine (PubChem CID 63266342) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine
PubChem CID63266342
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine
SMILESCc1nnc(N(C)CCN2CCNCC2)c2ccccc12
InChIInChI=1S/C16H23N5/c1-13-14-5-3-4-6-15(14)16(19-18-13)20(2)11-12-21-9-7-17-8-10-21/h3-6,17H,7-12H2,1-2H3
InChIKeyYWHHXFNFCHBLQP-UHFFFAOYSA-N
XLogP1.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine
CID 66353414
N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
N-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552611
4,6-dimethyl-2-[methyl(2-piperazin-1-ylethyl)amino]pyridine-3-carboxamide
CID 63266338
N,5-dimethyl-N-(2-piperazin-1-ylethyl)-1H-imidazol-2-amine
CID 106552628
N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline
CID 63266177
N,2-dimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732502
N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
CID 117029360
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine?
The IUPAC name of N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine (CID 63266342) is N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine.
What is the SMILES notation for N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine?
The canonical SMILES for N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine is Cc1nnc(N(C)CCN2CCNCC2)c2ccccc12.
What is the InChIKey of N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine?
The InChIKey is YWHHXFNFCHBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-14-5-3-4-6-15(14)16(19-18-13)20(2)11-12-21-9-7-17-8-10-21/h3-6,17H,7-12H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine?
N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 63266342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).