N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine

C15H15N5O2 — CID 10518107

IUPACN-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc2c(cnn2CCCNc2ccccn2)c1
InChIInChI=1S/C15H15N5O2/c21-20(22)13-5-6-14-12(10-13)11-18-19(14)9-3-8-17-15-4-1-2-7-16-15/h1-2,4-7,10-11H,3,8-9H2,(H,16,17)
InChIKeyYVSYYZIXEHIEDF-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.84
Rot. Bonds6

About N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine

N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine (PubChem CID 10518107) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
PubChem CID10518107
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc2c(cnn2CCCNc2ccccn2)c1
InChIInChI=1S/C15H15N5O2/c21-20(22)13-5-6-14-12(10-13)11-18-19(14)9-3-8-17-15-4-1-2-7-16-15/h1-2,4-7,10-11H,3,8-9H2,(H,16,17)
InChIKeyYVSYYZIXEHIEDF-UHFFFAOYSA-N
XLogP2.84
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine?
The IUPAC name of N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine (CID 10518107) is N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine is O=[N+]([O-])c1ccc2c(cnn2CCCNc2ccccn2)c1.
What is the InChIKey of N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine?
The InChIKey is YVSYYZIXEHIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-20(22)13-5-6-14-12(10-13)11-18-19(14)9-3-8-17-15-4-1-2-7-16-15/h1-2,4-7,10-11H,3,8-9H2,(H,16,17).
What are the key properties of N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine?
N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine has a molecular weight of 297.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 10518107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).