(4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane

C10H7ClN3P — CID 58266722

IUPAC(4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane
SMILESPn1c2cnc(Cl)cc2c2cccnc21
InChIInChI=1S/C10H7ClN3P/c11-9-4-7-6-2-1-3-12-10(6)14(15)8(7)5-13-9/h1-5H,15H2
InChIKeyIFVVUZGNALWQTO-UHFFFAOYSA-N
MW235.61 g/mol
LogP2.88
Rot. Bonds

About (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane

(4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane (PubChem CID 58266722) has the molecular formula C10H7ClN3P and a molecular weight of 235.61 g/mol. Its IUPAC name is (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane.

Molecular Properties

Compound Name(4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane
PubChem CID58266722
Molecular FormulaC10H7ClN3P
Molecular Weight235.61 g/mol
Exact Mass235.01
IUPAC Name(4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane
SMILESPn1c2cnc(Cl)cc2c2cccnc21
InChIInChI=1S/C10H7ClN3P/c11-9-4-7-6-2-1-3-12-10(6)14(15)8(7)5-13-9/h1-5H,15H2
InChIKeyIFVVUZGNALWQTO-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.61
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane?
The IUPAC name of (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane (CID 58266722) is (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane.
What is the SMILES notation for (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane?
The canonical SMILES for (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane is Pn1c2cnc(Cl)cc2c2cccnc21.
What is the InChIKey of (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane?
The InChIKey is IFVVUZGNALWQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN3P/c11-9-4-7-6-2-1-3-12-10(6)14(15)8(7)5-13-9/h1-5H,15H2.
What are the key properties of (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane?
(4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane has a molecular weight of 235.61 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)phosphane is sourced from PubChem (CID 58266722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).