1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine

C13H14N6 — CID 178122218

IUPAC1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2ccn(C)n2)c2cc(N)ncc12
InChIInChI=1S/C13H14N6/c1-15-13-10-7-16-12(14)5-8(10)9(6-17-13)11-3-4-19(2)18-11/h3-7H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKFUJWWCVSOOUNA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.65
Rot. Bonds2

About 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine

1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 178122218) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID178122218
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2ccn(C)n2)c2cc(N)ncc12
InChIInChI=1S/C13H14N6/c1-15-13-10-7-16-12(14)5-8(10)9(6-17-13)11-3-4-19(2)18-11/h3-7H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKFUJWWCVSOOUNA-UHFFFAOYSA-N
XLogP1.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine
CID 178122752
5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 92669016
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
CID 176940677
4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 80849150
5-chloro-N-methyl-3-(1-methylpyrazol-3-yl)-7H-cyclopenta[b]pyridin-4-amine
CID 163715998
4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine
CID 170627055
1-methylpyrazol-3-amine;dihydrochloride
CID 67521051
3-methyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,5-diamine
CID 79769929
4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
CID 170626460
2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 79770919
3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine
CID 172631334
5-methyl-1-(1-methylpyrazol-3-yl)pyrazol-3-amine
CID 102942950

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine (CID 178122218) is 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine is CNc1ncc(-c2ccn(C)n2)c2cc(N)ncc12.
What is the InChIKey of 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is KFUJWWCVSOOUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-15-13-10-7-16-12(14)5-8(10)9(6-17-13)11-3-4-19(2)18-11/h3-7H,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine?
1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 178122218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).