5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine

C19H26ClN5 — CID 126668155

IUPAC5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H26ClN5/c20-15-7-3-13(4-8-15)12-17-2-1-11-25(17)16-9-5-14(6-10-16)18-22-19(21)24-23-18/h3-4,7-8,14,16-17H,1-2,5-6,9-12H2,(H3,21,22,23,24)/t14?,16?,17-/m1/s1
InChIKeyGNOQTDPFOKBLIE-BDVYOWHSSA-N
MW359.91 g/mol
LogP3.77
Rot. Bonds4

About 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine

5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine (PubChem CID 126668155) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine
PubChem CID126668155
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H26ClN5/c20-15-7-3-13(4-8-15)12-17-2-1-11-25(17)16-9-5-14(6-10-16)18-22-19(21)24-23-18/h3-4,7-8,14,16-17H,1-2,5-6,9-12H2,(H3,21,22,23,24)/t14?,16?,17-/m1/s1
InChIKeyGNOQTDPFOKBLIE-BDVYOWHSSA-N
XLogP3.77
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine (CID 126668155) is 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GNOQTDPFOKBLIE-BDVYOWHSSA-N. The full InChI is InChI=1S/C19H26ClN5/c20-15-7-3-13(4-8-15)12-17-2-1-11-25(17)16-9-5-14(6-10-16)18-22-19(21)24-23-18/h3-4,7-8,14,16-17H,1-2,5-6,9-12H2,(H3,21,22,23,24)/t14?,16?,17-/m1/s1.
What are the key properties of 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine?
5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 359.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R)-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]cyclohexyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 126668155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).