(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine

C9H8N6S — CID 62950160

IUPAC(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(-c2ncnc3ccsc23)n1
InChIInChI=1S/C9H8N6S/c10-3-7-13-5-15(14-7)9-8-6(1-2-16-8)11-4-12-9/h1-2,4-5H,3,10H2
InChIKeyBGSULKNCEFXFKX-UHFFFAOYSA-N
MW232.27 g/mol
LogP0.73
Rot. Bonds2

About (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine

(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62950160) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID62950160
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(-c2ncnc3ccsc23)n1
InChIInChI=1S/C9H8N6S/c10-3-7-13-5-15(14-7)9-8-6(1-2-16-8)11-4-12-9/h1-2,4-5H,3,10H2
InChIKeyBGSULKNCEFXFKX-UHFFFAOYSA-N
XLogP0.73
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
4-(1H-imidazol-2-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
CID 44449598
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
2-ethyl-4-(1H-imidazol-2-yl)thieno[3,2-d]pyrimidine
CID 44449706
N-methylthieno[3,2-d]pyrimidin-4-amine
CID 23273491
Thieno(3,2-d)pyrimidin-4-amine
CID 11506485
1-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 661383
Thiophen-2-ylmethyl-(5-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 3227215
(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-thiophen-2-ylmethyl-amine
CID 3227218

Frequently Asked Questions

What is the IUPAC name of (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine (CID 62950160) is (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine is NCc1ncn(-c2ncnc3ccsc23)n1.
What is the InChIKey of (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is BGSULKNCEFXFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c10-3-7-13-5-15(14-7)9-8-6(1-2-16-8)11-4-12-9/h1-2,4-5H,3,10H2.
What are the key properties of (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine?
(1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 232.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thieno[3,2-d]pyrimidin-4-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62950160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).