4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine

C10H9N5S — CID 43628615

IUPAC4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine
SMILESCc1cc(N)sc1-c1nnc2ncccn12
InChIInChI=1S/C10H9N5S/c1-6-5-7(11)16-8(6)9-13-14-10-12-3-2-4-15(9)10/h2-5H,11H2,1H3
InChIKeyCMHUODYUZYZLRF-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.74
Rot. Bonds1

About 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine

4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine (PubChem CID 43628615) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine
PubChem CID43628615
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine
SMILESCc1cc(N)sc1-c1nnc2ncccn12
InChIInChI=1S/C10H9N5S/c1-6-5-7(11)16-8(6)9-13-14-10-12-3-2-4-15(9)10/h2-5H,11H2,1H3
InChIKeyCMHUODYUZYZLRF-UHFFFAOYSA-N
XLogP1.74
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628629
3,4-dimethyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 63021395
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine
CID 62043030
4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 62788288
5-chloro-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628645
4-fluoro-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628656
5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-1,2,4-triazol-3-amine
CID 62792686
2-[3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]ethanamine
CID 63795477
2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine
CID 65261811
2-nitro-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 60836051
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 59825854
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine?
The IUPAC name of 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine (CID 43628615) is 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine?
The canonical SMILES for 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine is Cc1cc(N)sc1-c1nnc2ncccn12.
What is the InChIKey of 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine?
The InChIKey is CMHUODYUZYZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-6-5-7(11)16-8(6)9-13-14-10-12-3-2-4-15(9)10/h2-5H,11H2,1H3.
What are the key properties of 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine?
4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine has a molecular weight of 231.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thiophen-2-amine is sourced from PubChem (CID 43628615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).