formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide

C15H18N6O3 — CID 163340978

IUPACformic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide
SMILESCCCn1cnc(NC(=O)Cc2[nH]nc3ccccc23)n1.O=CO
InChIInChI=1S/C14H16N6O.CH2O2/c1-2-7-20-9-15-14(19-20)16-13(21)8-12-10-5-3-4-6-11(10)17-18-12;2-1-3/h3-6,9H,2,7-8H2,1H3,(H,17,18)(H,16,19,21);1H,(H,2,3)
InChIKeyIPWFPNBERTXGED-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.45
Rot. Bonds5

About formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide

formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 163340978) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Nameformic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide
PubChem CID163340978
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Nameformic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide
SMILESCCCn1cnc(NC(=O)Cc2[nH]nc3ccccc23)n1.O=CO
InChIInChI=1S/C14H16N6O.CH2O2/c1-2-7-20-9-15-14(19-20)16-13(21)8-12-10-5-3-4-6-11(10)17-18-12;2-1-3/h3-6,9H,2,7-8H2,1H3,(H,17,18)(H,16,19,21);1H,(H,2,3)
InChIKeyIPWFPNBERTXGED-UHFFFAOYSA-N
XLogP1.45
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(2H-indazol-3-yl)acetamide
CID 154735944
2-[3-[[2-(2H-indazol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 154740868
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide
CID 157011878
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
2-(2H-indazol-3-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120574124
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide (CID 163340978) is formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide is CCCn1cnc(NC(=O)Cc2[nH]nc3ccccc23)n1.O=CO.
What is the InChIKey of formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is IPWFPNBERTXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O.CH2O2/c1-2-7-20-9-15-14(19-20)16-13(21)8-12-10-5-3-4-6-11(10)17-18-12;2-1-3/h3-6,9H,2,7-8H2,1H3,(H,17,18)(H,16,19,21);1H,(H,2,3).
What are the key properties of formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide?
formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(2H-indazol-3-yl)-N-(1-propyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 163340978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).