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

C9H14N6 — CID 106569980

IUPACN-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
SMILESCCNc1nccn1Cc1nncn1C
InChIInChI=1S/C9H14N6/c1-3-10-9-11-4-5-15(9)6-8-13-12-7-14(8)2/h4-5,7H,3,6H2,1-2H3,(H,10,11)
InChIKeyQAVSWEVHQDTSIB-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.49
Rot. Bonds4

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

N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine (PubChem CID 106569980) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
PubChem CID106569980
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
SMILESCCNc1nccn1Cc1nncn1C
InChIInChI=1S/C9H14N6/c1-3-10-9-11-4-5-15(9)6-8-13-12-7-14(8)2/h4-5,7H,3,6H2,1-2H3,(H,10,11)
InChIKeyQAVSWEVHQDTSIB-UHFFFAOYSA-N
XLogP0.49
TPSA60.56 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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106572865
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
N-ethyl-1-(pyridin-2-ylmethyl)imidazol-2-amine
CID 106559547
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 62117001
3-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazole
CID 78990437
N-ethyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577202
1-(2-cyclopropylethyl)-N-ethylimidazol-2-amine
CID 106575831
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(2-cyclopentylethyl)-N-ethylimidazol-2-amine
CID 106563426
1-(2-methylpropyl)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazin-2-one
CID 63330276
1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The IUPAC name of N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine (CID 106569980) is N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine is CCNc1nccn1Cc1nncn1C.
What is the InChIKey of N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
The InChIKey is QAVSWEVHQDTSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-3-10-9-11-4-5-15(9)6-8-13-12-7-14(8)2/h4-5,7H,3,6H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine?
N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine has a molecular weight of 206.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106569980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).