(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol

C17H19N5O — CID 97325529

IUPAC(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
SMILESC[C@H](C[C@@H](O)c1ccccc1)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C17H19N5O/c1-13(12-16(23)14-8-4-2-5-9-14)18-17-19-20-21-22(17)15-10-6-3-7-11-15/h2-11,13,16,23H,12H2,1H3,(H,18,19,21)/t13-,16-/m1/s1
InChIKeyLKDZNOAFBADWAD-CZUORRHYSA-N
MW309.37 g/mol
LogP2.59
Rot. Bonds6

About (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol

(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol (PubChem CID 97325529) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
PubChem CID97325529
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
SMILESC[C@H](C[C@@H](O)c1ccccc1)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C17H19N5O/c1-13(12-16(23)14-8-4-2-5-9-14)18-17-19-20-21-22(17)15-10-6-3-7-11-15/h2-11,13,16,23H,12H2,1H3,(H,18,19,21)/t13-,16-/m1/s1
InChIKeyLKDZNOAFBADWAD-CZUORRHYSA-N
XLogP2.59
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
CID 61462761
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
CID 94824821
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570
3-[methyl-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]amino]propanoic acid
CID 119362556

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
The IUPAC name of (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol (CID 97325529) is (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
The canonical SMILES for (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol is C[C@H](C[C@@H](O)c1ccccc1)Nc1nnnn1-c1ccccc1.
What is the InChIKey of (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
The InChIKey is LKDZNOAFBADWAD-CZUORRHYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13(12-16(23)14-8-4-2-5-9-14)18-17-19-20-21-22(17)15-10-6-3-7-11-15/h2-11,13,16,23H,12H2,1H3,(H,18,19,21)/t13-,16-/m1/s1.
What are the key properties of (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 97325529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).