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

C9H14N6 — CID 114531647

IUPAC[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCn1ccnc1CCn1ncnc1CN
InChIInChI=1S/C9H14N6/c1-14-5-3-11-8(14)2-4-15-9(6-10)12-7-13-15/h3,5,7H,2,4,6,10H2,1H3
InChIKeyWBKAQLVWIQAVLR-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.29
Rot. Bonds4

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

[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 114531647) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID114531647
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCn1ccnc1CCn1ncnc1CN
InChIInChI=1S/C9H14N6/c1-14-5-3-11-8(14)2-4-15-9(6-10)12-7-13-15/h3,5,7H,2,4,6,10H2,1H3
InChIKeyWBKAQLVWIQAVLR-UHFFFAOYSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114531650
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
methanamine;1-methyl-2-propylimidazole
CID 164902083
4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
CID 114532902
[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine
CID 114528915
azane;1-methyl-2-propylimidazole
CID 174525892
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
[2-(4-phenylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114334607

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (CID 114531647) is [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is Cn1ccnc1CCn1ncnc1CN.
What is the InChIKey of [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WBKAQLVWIQAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-5-3-11-8(14)2-4-15-9(6-10)12-7-13-15/h3,5,7H,2,4,6,10H2,1H3.
What are the key properties of [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 114531647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).