(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile

C11H11N5 — CID 8684817

IUPAC(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
SMILESC[C@@H](C#N)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H11N5/c1-9(7-12)8-16-14-11(13-15-16)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3/t9-/m0/s1
InChIKeyCSNKRPIZFCRCCE-VIFPVBQESA-N
MW213.24 g/mol
LogP1.50
Rot. Bonds3

About (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile

(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile (PubChem CID 8684817) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
PubChem CID8684817
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
SMILESC[C@@H](C#N)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H11N5/c1-9(7-12)8-16-14-11(13-15-16)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3/t9-/m0/s1
InChIKeyCSNKRPIZFCRCCE-VIFPVBQESA-N
XLogP1.50
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 63771728
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
N-[2-methyl-3-(5-phenyltetrazol-2-yl)propyl]cyclopropanamine
CID 62447155
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
2-ethanimidoyl-3-oxo-4-(5-phenyltetrazol-2-yl)butanenitrile
CID 7597867
2-cyano-N-methyl-3-oxo-6-(5-phenyltetrazol-2-yl)hexanamide
CID 56800660
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile?
The IUPAC name of (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile (CID 8684817) is (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile.
What is the SMILES notation for (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile?
The canonical SMILES for (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile is C[C@@H](C#N)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile?
The InChIKey is CSNKRPIZFCRCCE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N5/c1-9(7-12)8-16-14-11(13-15-16)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile?
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile has a molecular weight of 213.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile is sourced from PubChem (CID 8684817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).