N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide

C15H16N6O2 — CID 91784989

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(=O)c2ccccc12)c1ncnn1C
InChIInChI=1S/C15H16N6O2/c1-3-11(13-16-8-17-21(13)2)18-15(23)12-9-6-4-5-7-10(9)14(22)20-19-12/h4-8,11H,3H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyPCNVZNGPUODRJS-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.93
Rot. Bonds4

About N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 91784989) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID91784989
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(=O)c2ccccc12)c1ncnn1C
InChIInChI=1S/C15H16N6O2/c1-3-11(13-16-8-17-21(13)2)18-15(23)12-9-6-4-5-7-10(9)14(22)20-19-12/h4-8,11H,3H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyPCNVZNGPUODRJS-UHFFFAOYSA-N
XLogP0.93
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29479645
methyl (2R,3R)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate
CID 9269609
methyl (2S,3R)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate
CID 9269604
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31356926
N-[1-(methylamino)-1-oxopropan-2-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 47342650

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 91784989) is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide is CCC(NC(=O)c1n[nH]c(=O)c2ccccc12)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is PCNVZNGPUODRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-11(13-16-8-17-21(13)2)18-15(23)12-9-6-4-5-7-10(9)14(22)20-19-12/h4-8,11H,3H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 91784989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).