N-but-3-en-2-yl-3-chloropyrazin-2-amine

C8H10ClN3 — CID 106195760

IUPACN-but-3-en-2-yl-3-chloropyrazin-2-amine
SMILESC=CC(C)Nc1nccnc1Cl
InChIInChI=1S/C8H10ClN3/c1-3-6(2)12-8-7(9)10-4-5-11-8/h3-6H,1H2,2H3,(H,11,12)
InChIKeyCRFRMURPMCNUFH-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.12
Rot. Bonds3

About N-but-3-en-2-yl-3-chloropyrazin-2-amine

N-but-3-en-2-yl-3-chloropyrazin-2-amine (PubChem CID 106195760) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-chloropyrazin-2-amine
PubChem CID106195760
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC NameN-but-3-en-2-yl-3-chloropyrazin-2-amine
SMILESC=CC(C)Nc1nccnc1Cl
InChIInChI=1S/C8H10ClN3/c1-3-6(2)12-8-7(9)10-4-5-11-8/h3-6H,1H2,2H3,(H,11,12)
InChIKeyCRFRMURPMCNUFH-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine
CID 106195757
3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol
CID 131010704
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
N-but-3-en-2-ylfuro[3,2-c]pyridin-4-amine
CID 103750018
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073
N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
CID 106196773
N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
CID 113480150
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
CID 102989622
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
CID 131187821
N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
CID 106405847

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-chloropyrazin-2-amine?
The IUPAC name of N-but-3-en-2-yl-3-chloropyrazin-2-amine (CID 106195760) is N-but-3-en-2-yl-3-chloropyrazin-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-3-chloropyrazin-2-amine?
The canonical SMILES for N-but-3-en-2-yl-3-chloropyrazin-2-amine is C=CC(C)Nc1nccnc1Cl.
What is the InChIKey of N-but-3-en-2-yl-3-chloropyrazin-2-amine?
The InChIKey is CRFRMURPMCNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-3-6(2)12-8-7(9)10-4-5-11-8/h3-6H,1H2,2H3,(H,11,12).
What are the key properties of N-but-3-en-2-yl-3-chloropyrazin-2-amine?
N-but-3-en-2-yl-3-chloropyrazin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-chloropyrazin-2-amine is sourced from PubChem (CID 106195760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).