(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

C17H24ClN5O2 — CID 155938046

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@H](C(=O)NCc2nncn2CCc2ccccc2)C[C@H]1O
InChIInChI=1S/C17H23N5O2.ClH/c18-14-8-13(9-15(14)23)17(24)19-10-16-21-20-11-22(16)7-6-12-4-2-1-3-5-12;/h1-5,11,13-15,23H,6-10,18H2,(H,19,24);1H/t13-,14+,15+;/m0./s1
InChIKeyLRCBEOINYIHYFE-ONAKXNSWSA-N
MW365.87 g/mol
LogP0.66
Rot. Bonds6

About (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 155938046) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID155938046
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@H](C(=O)NCc2nncn2CCc2ccccc2)C[C@H]1O
InChIInChI=1S/C17H23N5O2.ClH/c18-14-8-13(9-15(14)23)17(24)19-10-16-21-20-11-22(16)7-6-12-4-2-1-3-5-12;/h1-5,11,13-15,23H,6-10,18H2,(H,19,24);1H/t13-,14+,15+;/m0./s1
InChIKeyLRCBEOINYIHYFE-ONAKXNSWSA-N
XLogP0.66
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 155938046) is (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.N[C@@H]1C[C@H](C(=O)NCc2nncn2CCc2ccccc2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is LRCBEOINYIHYFE-ONAKXNSWSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c18-14-8-13(9-15(14)23)17(24)19-10-16-21-20-11-22(16)7-6-12-4-2-1-3-5-12;/h1-5,11,13-15,23H,6-10,18H2,(H,19,24);1H/t13-,14+,15+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155938046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).