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

C9H14N6 — CID 106577201

IUPAC5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
SMILESCc1cnc(NCCc2ncn(C)n2)[nH]1
InChIInChI=1S/C9H14N6/c1-7-5-11-9(13-7)10-4-3-8-12-6-15(2)14-8/h5-6H,3-4H2,1-2H3,(H2,10,11,13)
InChIKeyKUAOZVMEBOQEOM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.50
Rot. Bonds4

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

5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine (PubChem CID 106577201) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
PubChem CID106577201
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
SMILESCc1cnc(NCCc2ncn(C)n2)[nH]1
InChIInChI=1S/C9H14N6/c1-7-5-11-9(13-7)10-4-3-8-12-6-15(2)14-8/h5-6H,3-4H2,1-2H3,(H2,10,11,13)
InChIKeyKUAOZVMEBOQEOM-UHFFFAOYSA-N
XLogP0.50
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine (CID 106577201) is 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine is Cc1cnc(NCCc2ncn(C)n2)[nH]1.
What is the InChIKey of 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
The InChIKey is KUAOZVMEBOQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7-5-11-9(13-7)10-4-3-8-12-6-15(2)14-8/h5-6H,3-4H2,1-2H3,(H2,10,11,13).
What are the key properties of 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine has a molecular weight of 206.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine is sourced from PubChem (CID 106577201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).