1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine

C14H15N5 — CID 81254005

IUPAC1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1-n1nnc2ccccc21
InChIInChI=1S/C14H15N5/c1-10-7-14(11(8-15-2)9-16-10)19-13-6-4-3-5-12(13)17-18-19/h3-7,9,15H,8H2,1-2H3
InChIKeyOLCAXHMCWNIFRM-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.84
Rot. Bonds3

About 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine

1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 81254005) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID81254005
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1-n1nnc2ccccc21
InChIInChI=1S/C14H15N5/c1-10-7-14(11(8-15-2)9-16-10)19-13-6-4-3-5-12(13)17-18-19/h3-7,9,15H,8H2,1-2H3
InChIKeyOLCAXHMCWNIFRM-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine (CID 81254005) is 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(C)cc1-n1nnc2ccccc21.
What is the InChIKey of 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is OLCAXHMCWNIFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-7-14(11(8-15-2)9-16-10)19-13-6-4-3-5-12(13)17-18-19/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81254005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).