(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol

C17H19N5O — CID 94824316

IUPAC(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-14(23)12-21(15-8-4-2-5-9-15)13-17-18-19-20-22(17)16-10-6-3-7-11-16/h2-11,14,23H,12-13H2,1H3/t14-/m1/s1
InChIKeyGDPGUHKBCOFQBA-CQSZACIVSA-N
MW309.37 g/mol
LogP2.05
Rot. Bonds6

About (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol

(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol (PubChem CID 94824316) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
PubChem CID94824316
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-14(23)12-21(15-8-4-2-5-9-15)13-17-18-19-20-22(17)16-10-6-3-7-11-16/h2-11,14,23H,12-13H2,1H3/t14-/m1/s1
InChIKeyGDPGUHKBCOFQBA-CQSZACIVSA-N
XLogP2.05
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
CID 110919036
1-[propan-2-yl-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]amino]propan-2-ol
CID 111108025
2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
CID 79263009
N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435403
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol?
The IUPAC name of (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol (CID 94824316) is (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol is C[C@@H](O)CN(Cc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol?
The InChIKey is GDPGUHKBCOFQBA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O/c1-14(23)12-21(15-8-4-2-5-9-15)13-17-18-19-20-22(17)16-10-6-3-7-11-16/h2-11,14,23H,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol?
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol has a molecular weight of 309.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol is sourced from PubChem (CID 94824316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).