N-but-3-ynylpyrazin-2-amine

C8H9N3 — CID 14086948

IUPACN-but-3-ynylpyrazin-2-amine
SMILESC#CCCNc1cnccn1
InChIInChI=1S/C8H9N3/c1-2-3-4-10-8-7-9-5-6-11-8/h1,5-7H,3-4H2,(H,10,11)
InChIKeyJLZGSHBGOITRHW-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.91
Rot. Bonds3

About N-but-3-ynylpyrazin-2-amine

N-but-3-ynylpyrazin-2-amine (PubChem CID 14086948) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-but-3-ynylpyrazin-2-amine.

Molecular Properties

Compound NameN-but-3-ynylpyrazin-2-amine
PubChem CID14086948
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-but-3-ynylpyrazin-2-amine
SMILESC#CCCNc1cnccn1
InChIInChI=1S/C8H9N3/c1-2-3-4-10-8-7-9-5-6-11-8/h1,5-7H,3-4H2,(H,10,11)
InChIKeyJLZGSHBGOITRHW-UHFFFAOYSA-N
XLogP0.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
6-(but-3-ynylamino)pyrazine-2-carbonitrile
CID 164644069
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907
N-pent-4-ynylpyridin-2-amine
CID 103704473
ethane;N-ethylpyrazin-2-amine
CID 145154365
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555
N-(3-methylsulfinylpropyl)pyrazin-2-amine
CID 115631383
N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 28544593
3-N-but-3-ynylpyrazine-2,3-diamine
CID 103662522
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
N-[2-(2-methylpropoxy)ethyl]pyrazin-2-amine
CID 115586229

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylpyrazin-2-amine?
The IUPAC name of N-but-3-ynylpyrazin-2-amine (CID 14086948) is N-but-3-ynylpyrazin-2-amine.
What is the SMILES notation for N-but-3-ynylpyrazin-2-amine?
The canonical SMILES for N-but-3-ynylpyrazin-2-amine is C#CCCNc1cnccn1.
What is the InChIKey of N-but-3-ynylpyrazin-2-amine?
The InChIKey is JLZGSHBGOITRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-3-4-10-8-7-9-5-6-11-8/h1,5-7H,3-4H2,(H,10,11).
What are the key properties of N-but-3-ynylpyrazin-2-amine?
N-but-3-ynylpyrazin-2-amine has a molecular weight of 147.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylpyrazin-2-amine is sourced from PubChem (CID 14086948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).