1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol

C14H21N5O — CID 115475591

IUPAC1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCC(C)CNCC(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H21N5O/c1-11(2)8-15-9-13(20)10-19-17-14(16-18-19)12-6-4-3-5-7-12/h3-7,11,13,15,20H,8-10H2,1-2H3
InChIKeyIPDDULMGDJWKDS-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.95
Rot. Bonds7

About 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol

1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 115475591) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID115475591
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCC(C)CNCC(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H21N5O/c1-11(2)8-15-9-13(20)10-19-17-14(16-18-19)12-6-4-3-5-7-12/h3-7,11,13,15,20H,8-10H2,1-2H3
InChIKeyIPDDULMGDJWKDS-UHFFFAOYSA-N
XLogP0.95
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475590
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(4-methylpiperidin-1-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56820200
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
CID 8684817
N-[2-methyl-3-(5-phenyltetrazol-2-yl)propyl]cyclopropanamine
CID 62447155
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 63771728

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol (CID 115475591) is 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol is CC(C)CNCC(O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is IPDDULMGDJWKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)8-15-9-13(20)10-19-17-14(16-18-19)12-6-4-3-5-7-12/h3-7,11,13,15,20H,8-10H2,1-2H3.
What are the key properties of 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 275.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 115475591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).