N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine

C11H15N5 — CID 10104768

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCCc2cnc[nH]2)n1
InChIInChI=1S/C11H15N5/c1-8-5-14-9(2)11(16-8)13-4-3-10-6-12-7-15-10/h5-7H,3-4H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyZQBHMILYTFLHIH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 10104768) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine
PubChem CID10104768
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCCc2cnc[nH]2)n1
InChIInChI=1S/C11H15N5/c1-8-5-14-9(2)11(16-8)13-4-3-10-6-12-7-15-10/h5-7H,3-4H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyZQBHMILYTFLHIH-UHFFFAOYSA-N
XLogP1.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
2-Methylhistamine
CID 91613
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544
N-Methylhistamine dihydrochloride
CID 16078977
1-(2-(1H-imidazol-4-yl)ethyl)-3-methylthiourea
CID 10397487
2-{[2-(1H-Imidazol-4-yl)ethyl]amino}pyrazine
CID 10330136
Histamine monohydrobromide
CID 45259430

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine (CID 10104768) is N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCCc2cnc[nH]2)n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is ZQBHMILYTFLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-5-14-9(2)11(16-8)13-4-3-10-6-12-7-15-10/h5-7H,3-4H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 10104768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).