N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine

C8H11N4OP — CID 23300090

IUPACN-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine
SMILESCN(C)POc1cccc2n[nH]nc12
InChIInChI=1S/C8H11N4OP/c1-12(2)14-13-7-5-3-4-6-8(7)10-11-9-6/h3-5,14H,1-2H3,(H,9,10,11)
InChIKeyIOEXZUTUGOTYMY-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.41
Rot. Bonds3

About N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine

N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine (PubChem CID 23300090) has the molecular formula C8H11N4OP and a molecular weight of 210.18 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine
PubChem CID23300090
Molecular FormulaC8H11N4OP
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC NameN-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine
SMILESCN(C)POc1cccc2n[nH]nc12
InChIInChI=1S/C8H11N4OP/c1-12(2)14-13-7-5-3-4-6-8(7)10-11-9-6/h3-5,14H,1-2H3,(H,9,10,11)
InChIKeyIOEXZUTUGOTYMY-UHFFFAOYSA-N
XLogP1.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine?
The IUPAC name of N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine (CID 23300090) is N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine.
What is the SMILES notation for N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine?
The canonical SMILES for N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine is CN(C)POc1cccc2n[nH]nc12.
What is the InChIKey of N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine?
The InChIKey is IOEXZUTUGOTYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N4OP/c1-12(2)14-13-7-5-3-4-6-8(7)10-11-9-6/h3-5,14H,1-2H3,(H,9,10,11).
What are the key properties of N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine?
N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine has a molecular weight of 210.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine is sourced from PubChem (CID 23300090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).