N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine

C7H10N6S — CID 64531247

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESc1n[nH]c(CCCNc2nncs2)n1
InChIInChI=1S/C7H10N6S/c1(2-6-9-4-10-12-6)3-8-7-13-11-5-14-7/h4-5H,1-3H2,(H,8,13)(H,9,10,12)
InChIKeyTXOONLVTZWSZNH-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.70
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64531247) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine
PubChem CID64531247
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESc1n[nH]c(CCCNc2nncs2)n1
InChIInChI=1S/C7H10N6S/c1(2-6-9-4-10-12-6)3-8-7-13-11-5-14-7/h4-5H,1-3H2,(H,8,13)(H,9,10,12)
InChIKeyTXOONLVTZWSZNH-UHFFFAOYSA-N
XLogP0.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2-Di(4h-1,2,4-triazol-3-yl)-ethane
CID 54489630
2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole
CID 91383250
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304987
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586337
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449705
3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole
CID 57135663
N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole
CID 142287228
5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 169210038
3-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 62952262
N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64158655
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64160014
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64160016

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine (CID 64531247) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine is c1n[nH]c(CCCNc2nncs2)n1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is TXOONLVTZWSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1(2-6-9-4-10-12-6)3-8-7-13-11-5-14-7/h4-5H,1-3H2,(H,8,13)(H,9,10,12).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 210.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64531247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).