N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine

C12H16ClN5 — CID 154735293

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1nccnc1NCc1ncc(Cl)n1C
InChIInChI=1S/C12H16ClN5/c1-8(2)11-12(15-5-4-14-11)17-7-10-16-6-9(13)18(10)3/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyZXMFYWDRZCLWCA-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.60
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine (PubChem CID 154735293) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine
PubChem CID154735293
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1nccnc1NCc1ncc(Cl)n1C
InChIInChI=1S/C12H16ClN5/c1-8(2)11-12(15-5-4-14-11)17-7-10-16-6-9(13)18(10)3/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyZXMFYWDRZCLWCA-UHFFFAOYSA-N
XLogP2.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine (CID 154735293) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine is CC(C)c1nccnc1NCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine?
The InChIKey is ZXMFYWDRZCLWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-8(2)11-12(15-5-4-14-11)17-7-10-16-6-9(13)18(10)3/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine has a molecular weight of 265.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 154735293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).