1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol

C8H13ClN4O — CID 171763700

IUPAC1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCc1nc(NCC(C)(C)O)nnc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5-6(9)12-13-7(11-5)10-4-8(2,3)14/h14H,4H2,1-3H3,(H,10,11,13)
InChIKeyNZCDKSXTNFZESC-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.02
Rot. Bonds3

About 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol

1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol (PubChem CID 171763700) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
PubChem CID171763700
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCc1nc(NCC(C)(C)O)nnc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5-6(9)12-13-7(11-5)10-4-8(2,3)14/h14H,4H2,1-3H3,(H,10,11,13)
InChIKeyNZCDKSXTNFZESC-UHFFFAOYSA-N
XLogP1.02
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol 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 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol (CID 171763700) is 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol is Cc1nc(NCC(C)(C)O)nnc1Cl.
What is the InChIKey of 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
The InChIKey is NZCDKSXTNFZESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5-6(9)12-13-7(11-5)10-4-8(2,3)14/h14H,4H2,1-3H3,(H,10,11,13).
What are the key properties of 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol has a molecular weight of 216.67 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 171763700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).