1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol

C16H17N5O — CID 133300991

IUPAC1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
SMILESOC(CNc1nnnn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17N5O/c22-15(11-13-7-3-1-4-8-13)12-17-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,17,18,20)
InChIKeyFUYNHTUCYUAJCO-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.68
Rot. Bonds6

About 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol

1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol (PubChem CID 133300991) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
PubChem CID133300991
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
SMILESOC(CNc1nnnn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17N5O/c22-15(11-13-7-3-1-4-8-13)12-17-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,17,18,20)
InChIKeyFUYNHTUCYUAJCO-UHFFFAOYSA-N
XLogP1.68
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
CID 65224474
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
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
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine
CID 9449726
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol (CID 133300991) is 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol is OC(CNc1nnnn1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol?
The InChIKey is FUYNHTUCYUAJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-15(11-13-7-3-1-4-8-13)12-17-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,17,18,20).
What are the key properties of 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol?
1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol has a molecular weight of 295.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 133300991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).