3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one

C20H19N7O — CID 143116232

IUPAC3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one
SMILESNc1ccc2c(=O)[nH]c3ccccc3c(Nc3cc(C4CC4)[nH]n3)n[nH]c2c1
InChIInChI=1S/C20H19N7O/c21-12-7-8-14-17(9-12)25-27-19(13-3-1-2-4-15(13)22-20(14)28)23-18-10-16(24-26-18)11-5-6-11/h1-4,7-11,25H,5-6,21H2,(H,22,28)(H2,23,24,26,27)
InChIKeyNAIZMKVRMKZZBT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.46
Rot. Bonds3

About 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one

3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one (PubChem CID 143116232) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one.

Molecular Properties

Compound Name3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one
PubChem CID143116232
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one
SMILESNc1ccc2c(=O)[nH]c3ccccc3c(Nc3cc(C4CC4)[nH]n3)n[nH]c2c1
InChIInChI=1S/C20H19N7O/c21-12-7-8-14-17(9-12)25-27-19(13-3-1-2-4-15(13)22-20(14)28)23-18-10-16(24-26-18)11-5-6-11/h1-4,7-11,25H,5-6,21H2,(H,22,28)(H2,23,24,26,27)
InChIKeyNAIZMKVRMKZZBT-UHFFFAOYSA-N
XLogP3.46
TPSA128.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one?
The IUPAC name of 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one (CID 143116232) is 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one.
What is the SMILES notation for 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one?
The canonical SMILES for 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one is Nc1ccc2c(=O)[nH]c3ccccc3c(Nc3cc(C4CC4)[nH]n3)n[nH]c2c1.
What is the InChIKey of 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one?
The InChIKey is NAIZMKVRMKZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-12-7-8-14-17(9-12)25-27-19(13-3-1-2-4-15(13)22-20(14)28)23-18-10-16(24-26-18)11-5-6-11/h1-4,7-11,25H,5-6,21H2,(H,22,28)(H2,23,24,26,27).
What are the key properties of 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one?
3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one has a molecular weight of 373.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one is sourced from PubChem (CID 143116232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).