(5-propan-2-ylpyrazin-2-yl)chloranium

C7H10ClN2+ — CID 158635586

IUPAC(5-propan-2-ylpyrazin-2-yl)chloranium
SMILESCC(C)c1cnc([ClH+])cn1
InChIInChI=1S/C7H10ClN2/c1-5(2)6-3-10-7(8)4-9-6/h3-5,8H,1-2H3/q+1
InChIKeyHZSPRPQUBPIPSJ-UHFFFAOYSA-N
MW157.62 g/mol
LogP1.30
Rot. Bonds1

About (5-propan-2-ylpyrazin-2-yl)chloranium

(5-propan-2-ylpyrazin-2-yl)chloranium (PubChem CID 158635586) has the molecular formula C7H10ClN2+ and a molecular weight of 157.62 g/mol. Its IUPAC name is (5-propan-2-ylpyrazin-2-yl)chloranium.

Molecular Properties

Compound Name(5-propan-2-ylpyrazin-2-yl)chloranium
PubChem CID158635586
Molecular FormulaC7H10ClN2+
Molecular Weight157.62 g/mol
Exact Mass157.05
IUPAC Name(5-propan-2-ylpyrazin-2-yl)chloranium
SMILESCC(C)c1cnc([ClH+])cn1
InChIInChI=1S/C7H10ClN2/c1-5(2)6-3-10-7(8)4-9-6/h3-5,8H,1-2H3/q+1
InChIKeyHZSPRPQUBPIPSJ-UHFFFAOYSA-N
XLogP1.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine
CID 161386893
(1S)-2-methyl-1-(5-propan-2-ylpyrazin-2-yl)propan-1-amine
CID 82401661
2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine
CID 11665920
2-propan-2-yl-5-pyrimidin-2-ylpyrazine
CID 58142779
2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine
CID 122532912
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
N,N-diethyl-5-propan-2-ylpyrazin-2-amine
CID 58008934
[1-(5-propan-2-ylpyrazin-2-yl)cyclopropyl]methanol
CID 170441919
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
6-propan-2-ylpyridine-3,4-diamine
CID 22380346
4,5-difluoro-2-propan-2-ylpyridine
CID 170611007
(5-propan-2-ylpyrazin-2-yl) formate
CID 126551955

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-ylpyrazin-2-yl)chloranium?
The IUPAC name of (5-propan-2-ylpyrazin-2-yl)chloranium (CID 158635586) is (5-propan-2-ylpyrazin-2-yl)chloranium.
What is the SMILES notation for (5-propan-2-ylpyrazin-2-yl)chloranium?
The canonical SMILES for (5-propan-2-ylpyrazin-2-yl)chloranium is CC(C)c1cnc([ClH+])cn1.
What is the InChIKey of (5-propan-2-ylpyrazin-2-yl)chloranium?
The InChIKey is HZSPRPQUBPIPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN2/c1-5(2)6-3-10-7(8)4-9-6/h3-5,8H,1-2H3/q+1.
What are the key properties of (5-propan-2-ylpyrazin-2-yl)chloranium?
(5-propan-2-ylpyrazin-2-yl)chloranium has a molecular weight of 157.62 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-ylpyrazin-2-yl)chloranium is sourced from PubChem (CID 158635586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).