3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C14H18N6S — CID 122154498

IUPAC3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccc2nnc(CNc3nc(CC(C)C)ns3)n2c1
InChIInChI=1S/C14H18N6S/c1-9(2)6-11-16-14(21-19-11)15-7-13-18-17-12-5-4-10(3)8-20(12)13/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,19)
InChIKeyGPYREWQISNWSGS-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.70
Rot. Bonds5

About 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine

3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 122154498) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID122154498
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccc2nnc(CNc3nc(CC(C)C)ns3)n2c1
InChIInChI=1S/C14H18N6S/c1-9(2)6-11-16-14(21-19-11)15-7-13-18-17-12-5-4-10(3)8-20(12)13/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,19)
InChIKeyGPYREWQISNWSGS-UHFFFAOYSA-N
XLogP2.70
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-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

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133490929
3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133491476
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491495
2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide
CID 166264688
3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139612
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 166299331
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126821064
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133486025
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685
4-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzene-1,2,3-triol
CID 106260111
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 122154498) is 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1ccc2nnc(CNc3nc(CC(C)C)ns3)n2c1.
What is the InChIKey of 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GPYREWQISNWSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-9(2)6-11-16-14(21-19-11)15-7-13-18-17-12-5-4-10(3)8-20(12)13/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,19).
What are the key properties of 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 302.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 122154498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).