3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine

C11H15N7 — CID 154976323

IUPAC3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCc2ncc(Nc3n[nH]c(N)n3)cc2C1
InChIInChI=1S/C11H15N7/c1-18-3-2-9-7(6-18)4-8(5-13-9)14-11-15-10(12)16-17-11/h4-5H,2-3,6H2,1H3,(H4,12,14,15,16,17)
InChIKeyRDEBBCKOBMBYGD-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.51
Rot. Bonds2

About 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine

3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 154976323) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID154976323
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCc2ncc(Nc3n[nH]c(N)n3)cc2C1
InChIInChI=1S/C11H15N7/c1-18-3-2-9-7(6-18)4-8(5-13-9)14-11-15-10(12)16-17-11/h4-5H,2-3,6H2,1H3,(H4,12,14,15,16,17)
InChIKeyRDEBBCKOBMBYGD-UHFFFAOYSA-N
XLogP0.51
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine (CID 154976323) is 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine is CN1CCc2ncc(Nc3n[nH]c(N)n3)cc2C1.
What is the InChIKey of 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RDEBBCKOBMBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c1-18-3-2-9-7(6-18)4-8(5-13-9)14-11-15-10(12)16-17-11/h4-5H,2-3,6H2,1H3,(H4,12,14,15,16,17).
What are the key properties of 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 245.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 154976323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).