6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine

C12H15N5O — CID 175969755

IUPAC6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCN1CCc2nc(COc3ncn[nH]3)ccc2C1
InChIInChI=1S/C12H15N5O/c1-17-5-4-11-9(6-17)2-3-10(15-11)7-18-12-13-8-14-16-12/h2-3,8H,4-7H2,1H3,(H,13,14,16)
InChIKeyKXCJIZJUALPCIA-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds3

About 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine

6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 175969755) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID175969755
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCN1CCc2nc(COc3ncn[nH]3)ccc2C1
InChIInChI=1S/C12H15N5O/c1-17-5-4-11-9(6-17)2-3-10(15-11)7-18-12-13-8-14-16-12/h2-3,8H,4-7H2,1H3,(H,13,14,16)
InChIKeyKXCJIZJUALPCIA-UHFFFAOYSA-N
XLogP0.77
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 175969755) is 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine is CN1CCc2nc(COc3ncn[nH]3)ccc2C1.
What is the InChIKey of 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is KXCJIZJUALPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-5-4-11-9(6-17)2-3-10(15-11)7-18-12-13-8-14-16-12/h2-3,8H,4-7H2,1H3,(H,13,14,16).
What are the key properties of 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine?
6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 245.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1H-1,2,4-triazol-5-yloxymethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 175969755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).