(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine

C11H13N5 — CID 143273250

IUPAC(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCn1nnc(-c2ccc3c(c2)CC[C@@H]3N)n1
InChIInChI=1S/C11H13N5/c1-16-14-11(13-15-16)8-2-4-9-7(6-8)3-5-10(9)12/h2,4,6,10H,3,5,12H2,1H3/t10-/m0/s1
InChIKeyQWKGQRQJXCFDET-JTQLQIEISA-N
MW215.26 g/mol
LogP0.82
Rot. Bonds1

About (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine

(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 143273250) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID143273250
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCn1nnc(-c2ccc3c(c2)CC[C@@H]3N)n1
InChIInChI=1S/C11H13N5/c1-16-14-11(13-15-16)8-2-4-9-7(6-8)3-5-10(9)12/h2,4,6,10H,3,5,12H2,1H3/t10-/m0/s1
InChIKeyQWKGQRQJXCFDET-JTQLQIEISA-N
XLogP0.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-Fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine
CID 22349895
5-[4-[(1R)-1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenyl]-2-methyltetrazole
CID 126511662
(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 126511665
5-[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole
CID 126572632
5-[4-(1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenyl]-2-methyltetrazole
CID 126592176
1-[5-[4-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenyl]tetrazol-2-yl]-2-methylpropan-2-ol
CID 126701914
(1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 126702562
5-[4-(1-azido-7-fluoro-2,3-dihydro-1H-inden-4-yl)-3-butyl-5-methylphenyl]-2-methyltetrazole
CID 139322477
2-(3,3-Difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane
CID 171655782
2-(3,3-Difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole
CID 171655783
5-(3,4-Dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole
CID 171655869
2-(3-Fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole
CID 171656157

Frequently Asked Questions

What is the IUPAC name of (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine (CID 143273250) is (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine is Cn1nnc(-c2ccc3c(c2)CC[C@@H]3N)n1.
What is the InChIKey of (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QWKGQRQJXCFDET-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N5/c1-16-14-11(13-15-16)8-2-4-9-7(6-8)3-5-10(9)12/h2,4,6,10H,3,5,12H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine?
(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 215.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 143273250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).