[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine

C8H12N6 — CID 106718122

IUPAC[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
SMILESCn1ncnc1Cn1cnc(CN)c1
InChIInChI=1S/C8H12N6/c1-13-8(10-5-12-13)4-14-3-7(2-9)11-6-14/h3,5-6H,2,4,9H2,1H3
InChIKeyDSFLMWLIMKZCRQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.48
Rot. Bonds3

About [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718122) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106718122
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
SMILESCn1ncnc1Cn1cnc(CN)c1
InChIInChI=1S/C8H12N6/c1-13-8(10-5-12-13)4-14-3-7(2-9)11-6-14/h3,5-6H,2,4,9H2,1H3
InChIKeyDSFLMWLIMKZCRQ-UHFFFAOYSA-N
XLogP-0.48
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983420
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721337
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106717912
(1-butylimidazol-4-yl)methanamine
CID 82467842
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718043
5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
CID 114692637
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine (CID 106718122) is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine is Cn1ncnc1Cn1cnc(CN)c1.
What is the InChIKey of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is DSFLMWLIMKZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-13-8(10-5-12-13)4-14-3-7(2-9)11-6-14/h3,5-6H,2,4,9H2,1H3.
What are the key properties of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 192.23 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).