N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine

C10H14ClN3O — CID 106405847

IUPACN-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
SMILESC=CCCOCCNc1nccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-3-7-15-8-6-14-10-9(11)12-4-5-13-10/h2,4-5H,1,3,6-8H2,(H,13,14)
InChIKeyWQYOGKAUSAGYHN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.13
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine

N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine (PubChem CID 106405847) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
PubChem CID106405847
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
SMILESC=CCCOCCNc1nccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-3-7-15-8-6-14-10-9(11)12-4-5-13-10/h2,4-5H,1,3,6-8H2,(H,13,14)
InChIKeyWQYOGKAUSAGYHN-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 61361800
3-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 63834074
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine
CID 103081323
3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine
CID 105920223
2-[(3-Chloro-2-pyrazinyl)amino]-1-ethanol
CID 2794949
2-Chloro-3-morpholino-5-aminopyrazine
CID 20528942
6-chloro-N-(2-methoxyethyl)pyrazin-2-amine
CID 53410267
2-chloro-6-[(S)-1-methoxy-2-propyl]aminopyrazine
CID 58703126
3-chloro-N-(2-methoxyethyl)pyrazin-2-amine
CID 61699199
3-chloro-N-[2-(2-methoxyethoxy)ethyl]pyrazin-2-amine
CID 61848080
3-chloro-N-(2,2-dimethoxyethyl)pyrazin-2-amine
CID 71668947
ethane;N-(2-methoxyethyl)pyrazin-2-amine;(Z)-2-N-methylprop-1-ene-1,2-diamine
CID 144352780

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine (CID 106405847) is N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine is C=CCCOCCNc1nccnc1Cl.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine?
The InChIKey is WQYOGKAUSAGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-3-7-15-8-6-14-10-9(11)12-4-5-13-10/h2,4-5H,1,3,6-8H2,(H,13,14).
What are the key properties of N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine?
N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine is sourced from PubChem (CID 106405847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).