3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine

C10H15N5S — CID 80527787

IUPAC3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)(CNc1n[nH]c(N)n1)c1cccs1
InChIInChI=1S/C10H15N5S/c1-10(2,7-4-3-5-16-7)6-12-9-13-8(11)14-15-9/h3-5H,6H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyRMSPRGYNNZOASP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.84
Rot. Bonds4

About 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 80527787) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID80527787
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)(CNc1n[nH]c(N)n1)c1cccs1
InChIInChI=1S/C10H15N5S/c1-10(2,7-4-3-5-16-7)6-12-9-13-8(11)14-15-9/h3-5H,6H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyRMSPRGYNNZOASP-UHFFFAOYSA-N
XLogP1.84
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275612
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
2-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437186
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525997
4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80930219
3-N-(2-ethoxy-2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 114944580
2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine
CID 80852489
5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80528351
4-fluoro-1-N-(2-methyl-2-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 80526019
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565509
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107554215
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine (CID 80527787) is 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine is CC(C)(CNc1n[nH]c(N)n1)c1cccs1.
What is the InChIKey of 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RMSPRGYNNZOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-10(2,7-4-3-5-16-7)6-12-9-13-8(11)14-15-9/h3-5H,6H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 237.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 80527787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).