2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one

C16H17N7O3 — CID 165420118

IUPAC2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
SMILESCn1nnnc1C1CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCO1
InChIInChI=1S/C16H17N7O3/c1-21-14(17-19-20-21)12-9-23(7-8-26-12)16(25)13-10-5-3-4-6-11(10)15(24)22(2)18-13/h3-6,12H,7-9H2,1-2H3
InChIKeyGZNFFBCZZPFTOZ-UHFFFAOYSA-N
MW355.36 g/mol
LogP-0.33
Rot. Bonds2

About 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one

2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one (PubChem CID 165420118) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
PubChem CID165420118
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
SMILESCn1nnnc1C1CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCO1
InChIInChI=1S/C16H17N7O3/c1-21-14(17-19-20-21)12-9-23(7-8-26-12)16(25)13-10-5-3-4-6-11(10)15(24)22(2)18-13/h3-6,12H,7-9H2,1-2H3
InChIKeyGZNFFBCZZPFTOZ-UHFFFAOYSA-N
XLogP-0.33
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157017306
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
CID 55948397
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 163304992
3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
CID 157014401
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
CID 41247250
2-methyl-4-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]phthalazin-1-one
CID 31003098
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157016662
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157012991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one (CID 165420118) is 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one is Cn1nnnc1C1CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCO1.
What is the InChIKey of 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one?
The InChIKey is GZNFFBCZZPFTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-21-14(17-19-20-21)12-9-23(7-8-26-12)16(25)13-10-5-3-4-6-11(10)15(24)22(2)18-13/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one?
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one has a molecular weight of 355.36 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one is sourced from PubChem (CID 165420118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).