N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine

C18H22N6 — CID 110100236

IUPACN-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCNc1nc(C2CCCN(Cc3cnccn3)C2)cn2cccc12
InChIInChI=1S/C18H22N6/c1-19-18-17-5-3-9-24(17)13-16(22-18)14-4-2-8-23(11-14)12-15-10-20-6-7-21-15/h3,5-7,9-10,13-14H,2,4,8,11-12H2,1H3,(H,19,22)
InChIKeyWZURUHRNXIVPAI-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.55
Rot. Bonds4

About N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine

N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 110100236) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID110100236
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCNc1nc(C2CCCN(Cc3cnccn3)C2)cn2cccc12
InChIInChI=1S/C18H22N6/c1-19-18-17-5-3-9-24(17)13-16(22-18)14-4-2-8-23(11-14)12-15-10-20-6-7-21-15/h3,5-7,9-10,13-14H,2,4,8,11-12H2,1H3,(H,19,22)
InChIKeyWZURUHRNXIVPAI-UHFFFAOYSA-N
XLogP2.55
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
N,N-dimethyl-3-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125009007
N,N-dimethyl-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125015187
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine
CID 73439918
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
N-methyl-N-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 171995944
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 62917165
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 95809284
2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
CID 125021370

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine (CID 110100236) is N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine is CNc1nc(C2CCCN(Cc3cnccn3)C2)cn2cccc12.
What is the InChIKey of N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is WZURUHRNXIVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-19-18-17-5-3-9-24(17)13-16(22-18)14-4-2-8-23(11-14)12-15-10-20-6-7-21-15/h3,5-7,9-10,13-14H,2,4,8,11-12H2,1H3,(H,19,22).
What are the key properties of N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 322.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 110100236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).