2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine

C8H12N6 — CID 107498632

IUPAC2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine
SMILESCc1nc(-c2cn(CCN)cn2)n[nH]1
InChIInChI=1S/C8H12N6/c1-6-11-8(13-12-6)7-4-14(3-2-9)5-10-7/h4-5H,2-3,9H2,1H3,(H,11,12,13)
InChIKeySVLJIUXFFNJGFI-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.06
Rot. Bonds3

About 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine

2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine (PubChem CID 107498632) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine
PubChem CID107498632
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine
SMILESCc1nc(-c2cn(CCN)cn2)n[nH]1
InChIInChI=1S/C8H12N6/c1-6-11-8(13-12-6)7-4-14(3-2-9)5-10-7/h4-5H,2-3,9H2,1H3,(H,11,12,13)
InChIKeySVLJIUXFFNJGFI-UHFFFAOYSA-N
XLogP-0.06
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine
CID 82281310
2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495792
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine
CID 82381039
2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495782
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
1-(2-aminoethyl)imidazol-4-amine
CID 96848259
2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495752
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496504
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193
2-(4-iodoimidazol-1-yl)ethanamine
CID 58247266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine (CID 107498632) is 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine is Cc1nc(-c2cn(CCN)cn2)n[nH]1.
What is the InChIKey of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine?
The InChIKey is SVLJIUXFFNJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6-11-8(13-12-6)7-4-14(3-2-9)5-10-7/h4-5H,2-3,9H2,1H3,(H,11,12,13).
What are the key properties of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine?
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine has a molecular weight of 192.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107498632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).