N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine

C12H17N5 — CID 112559312

IUPACN-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
SMILESCCNc1nccnc1-c1cncn1C(C)C
InChIInChI=1S/C12H17N5/c1-4-14-12-11(15-5-6-16-12)10-7-13-8-17(10)9(2)3/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyJIBQDUSHAZIVOX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.35
Rot. Bonds4

About N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine

N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine (PubChem CID 112559312) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
PubChem CID112559312
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
SMILESCCNc1nccnc1-c1cncn1C(C)C
InChIInChI=1S/C12H17N5/c1-4-14-12-11(15-5-6-16-12)10-7-13-8-17(10)9(2)3/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyJIBQDUSHAZIVOX-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine?
The IUPAC name of N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine (CID 112559312) is N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine is CCNc1nccnc1-c1cncn1C(C)C.
What is the InChIKey of N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine?
The InChIKey is JIBQDUSHAZIVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-14-12-11(15-5-6-16-12)10-7-13-8-17(10)9(2)3/h5-9H,4H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine?
N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 112559312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).