(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

C7H11ClFN5O — CID 130653783

IUPAC(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncn[nH]1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C7H10FN5O.ClH/c8-4-1-5(9-2-4)6(14)12-7-10-3-11-13-7;/h3-5,9H,1-2H2,(H2,10,11,12,13,14);1H/t4-,5+;/m0./s1
InChIKeyCYSFRSVOGGORBC-UYXJWNHNSA-N
MW235.65 g/mol
LogP-0.14
Rot. Bonds2

About (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130653783) has the molecular formula C7H11ClFN5O and a molecular weight of 235.65 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID130653783
Molecular FormulaC7H11ClFN5O
Molecular Weight235.65 g/mol
Exact Mass235.06
IUPAC Name(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncn[nH]1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C7H10FN5O.ClH/c8-4-1-5(9-2-4)6(14)12-7-10-3-11-13-7;/h3-5,9H,1-2H2,(H2,10,11,12,13,14);1H/t4-,5+;/m0./s1
InChIKeyCYSFRSVOGGORBC-UYXJWNHNSA-N
XLogP-0.14
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 130653783) is (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncn[nH]1)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CYSFRSVOGGORBC-UYXJWNHNSA-N. The full InChI is InChI=1S/C7H10FN5O.ClH/c8-4-1-5(9-2-4)6(14)12-7-10-3-11-13-7;/h3-5,9H,1-2H2,(H2,10,11,12,13,14);1H/t4-,5+;/m0./s1.
What are the key properties of (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 235.65 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130653783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).