2-butyl-1H-phthalazine

C12H16N2 — CID 10012707

IUPAC2-butyl-1H-phthalazine
SMILESCCCCN1Cc2ccccc2C=N1
InChIInChI=1S/C12H16N2/c1-2-3-8-14-10-12-7-5-4-6-11(12)9-13-14/h4-7,9H,2-3,8,10H2,1H3
InChIKeyDLZKHQJLDALMQW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.64
Rot. Bonds3

About 2-butyl-1H-phthalazine

2-butyl-1H-phthalazine (PubChem CID 10012707) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-butyl-1H-phthalazine.

Molecular Properties

Compound Name2-butyl-1H-phthalazine
PubChem CID10012707
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-butyl-1H-phthalazine
SMILESCCCCN1Cc2ccccc2C=N1
InChIInChI=1S/C12H16N2/c1-2-3-8-14-10-12-7-5-4-6-11(12)9-13-14/h4-7,9H,2-3,8,10H2,1H3
InChIKeyDLZKHQJLDALMQW-UHFFFAOYSA-N
XLogP2.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-phthalazin-2-amine
CID 54178795
N-(1H-phthalazin-2-yl)-N-propanoylpropanamide
CID 67693179
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CID 67229467
3-methyl-4,5-dihydro-2,3-benzodiazepine
CID 53232186
CID 119077437
CID 119077437
2-(3-methylphenyl)-1H-phthalazine
CID 71560617
13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 16723613
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-butyl-2,3-dihydroindole
CID 4167209
(4E)-2-butyl-4-ethylidene-1H-isoquinolin-3-one
CID 11299155
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-butyl-4-cyclopentyl-4-hexan-3-yl-1,3-dihydroisoquinoline
CID 166724175

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-phthalazine?
The IUPAC name of 2-butyl-1H-phthalazine (CID 10012707) is 2-butyl-1H-phthalazine.
What is the SMILES notation for 2-butyl-1H-phthalazine?
The canonical SMILES for 2-butyl-1H-phthalazine is CCCCN1Cc2ccccc2C=N1.
What is the InChIKey of 2-butyl-1H-phthalazine?
The InChIKey is DLZKHQJLDALMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-8-14-10-12-7-5-4-6-11(12)9-13-14/h4-7,9H,2-3,8,10H2,1H3.
What are the key properties of 2-butyl-1H-phthalazine?
2-butyl-1H-phthalazine has a molecular weight of 188.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-phthalazine is sourced from PubChem (CID 10012707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).