3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine

C5H10FN5 — CID 126976304

IUPAC3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCCCF)n[nH]1
InChIInChI=1S/C5H10FN5/c6-2-1-3-8-5-9-4(7)10-11-5/h1-3H2,(H4,7,8,9,10,11)
InChIKeyAFOACXZSDPFRHI-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.16
Rot. Bonds4

About 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 126976304) has the molecular formula C5H10FN5 and a molecular weight of 159.17 g/mol. Its IUPAC name is 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID126976304
Molecular FormulaC5H10FN5
Molecular Weight159.17 g/mol
Exact Mass159.09
IUPAC Name3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCCCF)n[nH]1
InChIInChI=1S/C5H10FN5/c6-2-1-3-8-5-9-4(7)10-11-5/h1-3H2,(H4,7,8,9,10,11)
InChIKeyAFOACXZSDPFRHI-UHFFFAOYSA-N
XLogP0.16
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine (CID 126976304) is 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NCCCF)n[nH]1.
What is the InChIKey of 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is AFOACXZSDPFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN5/c6-2-1-3-8-5-9-4(7)10-11-5/h1-3H2,(H4,7,8,9,10,11).
What are the key properties of 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 159.17 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluoropropyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 126976304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).