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

C9H14N6 — CID 79983420

IUPAC2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCn1ncnc1Cn1cnc(CCN)c1
InChIInChI=1S/C9H14N6/c1-14-9(11-6-13-14)5-15-4-8(2-3-10)12-7-15/h4,6-7H,2-3,5,10H2,1H3
InChIKeyUBSPSFKAGNKADZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.44
Rot. Bonds4

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

2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79983420) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID79983420
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCn1ncnc1Cn1cnc(CCN)c1
InChIInChI=1S/C9H14N6/c1-14-9(11-6-13-14)5-15-4-8(2-3-10)12-7-15/h4,6-7H,2-3,5,10H2,1H3
InChIKeyUBSPSFKAGNKADZ-UHFFFAOYSA-N
XLogP-0.44
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 ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine (CID 79983420) is 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine is Cn1ncnc1Cn1cnc(CCN)c1.
What is the InChIKey of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is UBSPSFKAGNKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-9(11-6-13-14)5-15-4-8(2-3-10)12-7-15/h4,6-7H,2-3,5,10H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79983420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).