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

C7H11F2N5 — CID 131114112

IUPAC3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CCC(F)(F)C2)n[nH]1
InChIInChI=1S/C7H11F2N5/c8-7(9)2-1-4(3-7)11-6-12-5(10)13-14-6/h4H,1-3H2,(H4,10,11,12,13,14)
InChIKeyCKTCZZJCBMSAGX-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.99
Rot. Bonds2

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

3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 131114112) has the molecular formula C7H11F2N5 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID131114112
Molecular FormulaC7H11F2N5
Molecular Weight203.20 g/mol
Exact Mass203.10
IUPAC Name3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CCC(F)(F)C2)n[nH]1
InChIInChI=1S/C7H11F2N5/c8-7(9)2-1-4(3-7)11-6-12-5(10)13-14-6/h4H,1-3H2,(H4,10,11,12,13,14)
InChIKeyCKTCZZJCBMSAGX-UHFFFAOYSA-N
XLogP0.99
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine (CID 131114112) is 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NC2CCC(F)(F)C2)n[nH]1.
What is the InChIKey of 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is CKTCZZJCBMSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5/c8-7(9)2-1-4(3-7)11-6-12-5(10)13-14-6/h4H,1-3H2,(H4,10,11,12,13,14).
What are the key properties of 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 203.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-difluorocyclopentyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 131114112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).