3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine

C4H7N5S — CID 21107802

IUPAC3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine
SMILESNC1N(N)N=C2SC=CN21
InChIInChI=1S/C4H7N5S/c5-3-8-1-2-10-4(8)7-9(3)6/h1-3H,5-6H2
InChIKeyVKBSZKHEVHGLEJ-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.79
Rot. Bonds

About 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine

3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine (PubChem CID 21107802) has the molecular formula C4H7N5S and a molecular weight of 157.20 g/mol. Its IUPAC name is 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine.

Molecular Properties

Compound Name3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine
PubChem CID21107802
Molecular FormulaC4H7N5S
Molecular Weight157.20 g/mol
Exact Mass157.04
IUPAC Name3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine
SMILESNC1N(N)N=C2SC=CN21
InChIInChI=1S/C4H7N5S/c5-3-8-1-2-10-4(8)7-9(3)6/h1-3H,5-6H2
InChIKeyVKBSZKHEVHGLEJ-UHFFFAOYSA-N
XLogP-0.79
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
CID 21107588
5,6-dihydropyrrolo[2,1-b][1,3]thiazol-5-amine
CID 89355373
4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,7,10-triene
CID 155166508
4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 155166553
(6R)-6-thiophen-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 76964217
5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005273
2H-pyrimidine-1,2,4-triamine
CID 18455683
1,3-dimethyl-2,4-dihydropyrimidine-4,5-diamine
CID 131871119
4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9-tetraene
CID 176534912
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine
CID 67391168
2-(3-amino-2H-1,3-thiazol-2-yl)ethyl 2,4,6-trimethylbenzenesulfonate
CID 87925339
ethyl 7-methyl-5-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3934460

Frequently Asked Questions

What is the IUPAC name of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine?
The IUPAC name of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine (CID 21107802) is 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine.
What is the SMILES notation for 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine?
The canonical SMILES for 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine is NC1N(N)N=C2SC=CN21.
What is the InChIKey of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine?
The InChIKey is VKBSZKHEVHGLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5S/c5-3-8-1-2-10-4(8)7-9(3)6/h1-3H,5-6H2.
What are the key properties of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine?
3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine has a molecular weight of 157.20 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,3-diamine is sourced from PubChem (CID 21107802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).