[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine

C9H14N6 — CID 62950336

IUPAC[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1nccn1CCn1cnc(CN)n1
InChIInChI=1S/C9H14N6/c1-8-11-2-3-14(8)4-5-15-7-12-9(6-10)13-15/h2-3,7H,4-6,10H2,1H3
InChIKeyGCRDSMPNYDJTIU-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.06
Rot. Bonds4

About [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine

[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 62950336) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID62950336
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1nccn1CCn1cnc(CN)n1
InChIInChI=1S/C9H14N6/c1-8-11-2-3-14(8)4-5-15-7-12-9(6-10)13-15/h2-3,7H,4-6,10H2,1H3
InChIKeyGCRDSMPNYDJTIU-UHFFFAOYSA-N
XLogP-0.06
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazole-3-carbothioamide
CID 62949442
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
CID 63999143
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 130485451
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
CID 102916378
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide
CID 63891899
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine
CID 81175865

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (CID 62950336) is [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is Cc1nccn1CCn1cnc(CN)n1.
What is the InChIKey of [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GCRDSMPNYDJTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-8-11-2-3-14(8)4-5-15-7-12-9(6-10)13-15/h2-3,7H,4-6,10H2,1H3.
What are the key properties of [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 62950336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).