3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

C9H13N7S — CID 66275142

IUPAC3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(c3nccs3)CC2)n[nH]1
InChIInChI=1S/C9H13N7S/c10-7-12-8(14-13-7)15-2-4-16(5-3-15)9-11-1-6-17-9/h1,6H,2-5H2,(H3,10,12,13,14)
InChIKeyGHZRPCKSOPZVAO-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.17
Rot. Bonds2

About 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 66275142) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID66275142
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(c3nccs3)CC2)n[nH]1
InChIInChI=1S/C9H13N7S/c10-7-12-8(14-13-7)15-2-4-16(5-3-15)9-11-1-6-17-9/h1,6H,2-5H2,(H3,10,12,13,14)
InChIKeyGHZRPCKSOPZVAO-UHFFFAOYSA-N
XLogP0.17
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
CID 169040469
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1H-1,2,4-triazol-5-amine
CID 66276232
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 83151968
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318325
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932
5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80754526
4-chloro-5-(chloromethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 80687206

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 66275142) is 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(c3nccs3)CC2)n[nH]1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is GHZRPCKSOPZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S/c10-7-12-8(14-13-7)15-2-4-16(5-3-15)9-11-1-6-17-9/h1,6H,2-5H2,(H3,10,12,13,14).
What are the key properties of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 251.32 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66275142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).