N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

C17H17N5O2 — CID 133283965

IUPACN-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3cccc4c3OCO4)n2)n1
InChIInChI=1S/C17H17N5O2/c1-11-6-12(2)22(21-11)16-9-18-8-15(20-16)19-7-13-4-3-5-14-17(13)24-10-23-14/h3-6,8-9H,7,10H2,1-2H3,(H,19,20)
InChIKeyFXOSYTXUXPHNLK-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.62
Rot. Bonds4

About N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 133283965) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
PubChem CID133283965
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3cccc4c3OCO4)n2)n1
InChIInChI=1S/C17H17N5O2/c1-11-6-12(2)22(21-11)16-9-18-8-15(20-16)19-7-13-4-3-5-14-17(13)24-10-23-14/h3-6,8-9H,7,10H2,1-2H3,(H,19,20)
InChIKeyFXOSYTXUXPHNLK-UHFFFAOYSA-N
XLogP2.62
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133283073
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284649
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133283076
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
CID 133296904
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (CID 133283965) is N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCc3cccc4c3OCO4)n2)n1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is FXOSYTXUXPHNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-6-12(2)22(21-11)16-9-18-8-15(20-16)19-7-13-4-3-5-14-17(13)24-10-23-14/h3-6,8-9H,7,10H2,1-2H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 133283965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).