(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine

C9H11N5 — CID 82895949

IUPAC(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine
SMILESCn1cncc1C(N)c1cnccn1
InChIInChI=1S/C9H11N5/c1-14-6-12-5-8(14)9(10)7-4-11-2-3-13-7/h2-6,9H,10H2,1H3
InChIKeyAPVYOECTUMHWSM-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.26
Rot. Bonds2

About (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine

(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine (PubChem CID 82895949) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine
PubChem CID82895949
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine
SMILESCn1cncc1C(N)c1cnccn1
InChIInChI=1S/C9H11N5/c1-14-6-12-5-8(14)9(10)7-4-11-2-3-13-7/h2-6,9H,10H2,1H3
InChIKeyAPVYOECTUMHWSM-UHFFFAOYSA-N
XLogP0.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazol-4-yl)-(4-methyl-3-pyridinyl)methanamine
CID 82895955
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
3-[amino-(3-methylimidazol-4-yl)methyl]-5-chloropyridin-2-amine
CID 82896417
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
CID 66116728
(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
CID 82895953
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine
CID 82895493
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
4-pyrazin-2-ylpentan-2-amine
CID 64721175
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine?
The IUPAC name of (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine (CID 82895949) is (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine is Cn1cncc1C(N)c1cnccn1.
What is the InChIKey of (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine?
The InChIKey is APVYOECTUMHWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14-6-12-5-8(14)9(10)7-4-11-2-3-13-7/h2-6,9H,10H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine?
(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine has a molecular weight of 189.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 82895949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).