5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine

C10H18N4 — CID 114383143

IUPAC5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
SMILESCCC(CC)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4/c1-5-9(6-2)12-10-11-7(3)8(4)13-14-10/h9H,5-6H2,1-4H3,(H,11,12,14)
InChIKeyULZCWXOXOMWVDU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.09
Rot. Bonds4

About 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine

5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine (PubChem CID 114383143) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
PubChem CID114383143
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
SMILESCCC(CC)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4/c1-5-9(6-2)12-10-11-7(3)8(4)13-14-10/h9H,5-6H2,1-4H3,(H,11,12,14)
InChIKeyULZCWXOXOMWVDU-UHFFFAOYSA-N
XLogP2.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-Amino-5,6-dimethyl-1,2,4-triazine
CID 87163
N,5,6-trimethyl-1,2,4-triazin-3-amine
CID 13950669
N-(3-bicyclo[3.1.0]hexanyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 128902240
N,N,5,6-tetramethyl-1,2,4-triazin-3-amine
CID 286859
5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
CID 104923911
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 104925409
5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
CID 105362761
5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294256
N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 107494007
5,6-dimethyl-N-(5,5,5-trifluoropentyl)-1,2,4-triazin-3-amine
CID 113586373
5,6-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 113847669
N'-(5,6-dimethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113966340

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine (CID 114383143) is 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine is CCC(CC)Nc1nnc(C)c(C)n1.
What is the InChIKey of 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
The InChIKey is ULZCWXOXOMWVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-9(6-2)12-10-11-7(3)8(4)13-14-10/h9H,5-6H2,1-4H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114383143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).