N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine

C10H12N4 — CID 169473750

IUPACN-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine
SMILESCNCC=Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C10H12N4/c1-11-5-2-3-8-7-13-10-9(14-8)4-6-12-10/h2-4,6-7,11H,5H2,1H3,(H,12,13)
InChIKeyDKCRBUKXPRWWHQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.19
Rot. Bonds3

About N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine

N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine (PubChem CID 169473750) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine
PubChem CID169473750
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine
SMILESCNCC=Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C10H12N4/c1-11-5-2-3-8-7-13-10-9(14-8)4-6-12-10/h2-4,6-7,11H,5H2,1H3,(H,12,13)
InChIKeyDKCRBUKXPRWWHQ-UHFFFAOYSA-N
XLogP1.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine (CID 169473750) is N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine is CNCC=Cc1cnc2[nH]ccc2n1.
What is the InChIKey of N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine?
The InChIKey is DKCRBUKXPRWWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-5-2-3-8-7-13-10-9(14-8)4-6-12-10/h2-4,6-7,11H,5H2,1H3,(H,12,13).
What are the key properties of N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine?
N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine has a molecular weight of 188.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 169473750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).