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

C10H18N6 — CID 122125629

IUPACN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCn1nc(C)c(CNC2=NCC(C)N2)n1
InChIInChI=1S/C10H18N6/c1-4-16-14-8(3)9(15-16)6-12-10-11-5-7(2)13-10/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyXBGFVHYKKSKUPR-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.04
Rot. Bonds3

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

N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 122125629) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID122125629
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCn1nc(C)c(CNC2=NCC(C)N2)n1
InChIInChI=1S/C10H18N6/c1-4-16-14-8(3)9(15-16)6-12-10-11-5-7(2)13-10/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyXBGFVHYKKSKUPR-UHFFFAOYSA-N
XLogP0.04
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 122125629) is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CCn1nc(C)c(CNC2=NCC(C)N2)n1.
What is the InChIKey of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XBGFVHYKKSKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-4-16-14-8(3)9(15-16)6-12-10-11-5-7(2)13-10/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 222.30 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 122125629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).