1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine

C10H14F2N6 — CID 169172677

IUPAC1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
SMILESC[C@H](c1nncn1CC(C)(F)F)n1cc(N)cn1
InChIInChI=1S/C10H14F2N6/c1-7(18-4-8(13)3-15-18)9-16-14-6-17(9)5-10(2,11)12/h3-4,6-7H,5,13H2,1-2H3/t7-/m1/s1
InChIKeyAFPCHTRYIFUUES-SSDOTTSWSA-N
MW256.26 g/mol
LogP1.32
Rot. Bonds4

About 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine

1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine (PubChem CID 169172677) has the molecular formula C10H14F2N6 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
PubChem CID169172677
Molecular FormulaC10H14F2N6
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
SMILESC[C@H](c1nncn1CC(C)(F)F)n1cc(N)cn1
InChIInChI=1S/C10H14F2N6/c1-7(18-4-8(13)3-15-18)9-16-14-6-17(9)5-10(2,11)12/h3-4,6-7H,5,13H2,1-2H3/t7-/m1/s1
InChIKeyAFPCHTRYIFUUES-SSDOTTSWSA-N
XLogP1.32
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine (CID 169172677) is 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine is C[C@H](c1nncn1CC(C)(F)F)n1cc(N)cn1.
What is the InChIKey of 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine?
The InChIKey is AFPCHTRYIFUUES-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F2N6/c1-7(18-4-8(13)3-15-18)9-16-14-6-17(9)5-10(2,11)12/h3-4,6-7H,5,13H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine?
1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine has a molecular weight of 256.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 169172677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).