N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine

C15H12N4O2 — CID 78980843

IUPACN-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESc1cnc2nc(NCc3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C15H12N4O2/c1-3-12-13(21-9-20-12)7-10(1)8-18-14-4-2-11-15(19-14)17-6-5-16-11/h1-7H,8-9H2,(H,17,18,19)
InChIKeyAJKGICYRPSYONK-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.37
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine

N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 78980843) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID78980843
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESc1cnc2nc(NCc3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C15H12N4O2/c1-3-12-13(21-9-20-12)7-10(1)8-18-14-4-2-11-15(19-14)17-6-5-16-11/h1-7H,8-9H2,(H,17,18,19)
InChIKeyAJKGICYRPSYONK-UHFFFAOYSA-N
XLogP2.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 45106893
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-benzylpyrimidine-2,4-diamine
CID 112889574
N-(1,3-benzodioxol-5-ylmethyl)pyrimidin-4-amine
CID 62907156
2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62906634
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889857
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892685
6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-bis(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 177395032
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112888389
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886197
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112892693
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine (CID 78980843) is N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine is c1cnc2nc(NCc3ccc4c(c3)OCO4)ccc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is AJKGICYRPSYONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-3-12-13(21-9-20-12)7-10(1)8-18-14-4-2-11-15(19-14)17-6-5-16-11/h1-7H,8-9H2,(H,17,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine?
N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 280.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 78980843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).