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

C7H11N7S — CID 66280107

IUPAC5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCCc2ncn[nH]2)n1
InChIInChI=1S/C7H11N7S/c8-6-12-7(15-14-6)9-3-1-2-5-10-4-11-13-5/h4H,1-3H2,(H,10,11,13)(H3,8,9,12,14)
InChIKeyIUOWECMDEMHFBY-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.28
Rot. Bonds5

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

5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280107) has the molecular formula C7H11N7S and a molecular weight of 225.28 g/mol. Its IUPAC name is 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280107
Molecular FormulaC7H11N7S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCCc2ncn[nH]2)n1
InChIInChI=1S/C7H11N7S/c8-6-12-7(15-14-6)9-3-1-2-5-10-4-11-13-5/h4H,1-3H2,(H,10,11,13)(H3,8,9,12,14)
InChIKeyIUOWECMDEMHFBY-UHFFFAOYSA-N
XLogP0.28
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
CID 103468558
3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
CID 66280540
5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
CID 105362674
8-N-[3-(1H-1,2,4-triazol-5-yl)propyl]isoquinoline-5,8-diamine
CID 103138436
1-ethyl-3-methyl-5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4,5-diamine
CID 66012088
N-[3-(1H-1,2,4-triazol-5-yl)propyl]phthalazin-1-amine
CID 64532036
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 64517232
5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 82947352
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine (CID 66280107) is 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCCCc2ncn[nH]2)n1.
What is the InChIKey of 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is IUOWECMDEMHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7S/c8-6-12-7(15-14-6)9-3-1-2-5-10-4-11-13-5/h4H,1-3H2,(H,10,11,13)(H3,8,9,12,14).
What are the key properties of 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 225.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).