1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine

C16H13Cl2N5 — CID 11709955

IUPAC1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2N[C@H]2CCc3ccccc32)c1Cl
InChIInChI=1S/C16H13Cl2N5/c17-12-6-3-7-14(15(12)18)23-16(20-21-22-23)19-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H,19,20,22)/t13-/m0/s1
InChIKeyKOYDWMDBDUGTDQ-ZDUSSCGKSA-N
MW346.22 g/mol
LogP4.07
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine (PubChem CID 11709955) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
PubChem CID11709955
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2N[C@H]2CCc3ccccc32)c1Cl
InChIInChI=1S/C16H13Cl2N5/c17-12-6-3-7-14(15(12)18)23-16(20-21-22-23)19-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H,19,20,22)/t13-/m0/s1
InChIKeyKOYDWMDBDUGTDQ-ZDUSSCGKSA-N
XLogP4.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine (CID 11709955) is 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine is Clc1cccc(-n2nnnc2N[C@H]2CCc3ccccc32)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine?
The InChIKey is KOYDWMDBDUGTDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c17-12-6-3-7-14(15(12)18)23-16(20-21-22-23)19-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H,19,20,22)/t13-/m0/s1.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine has a molecular weight of 346.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine is sourced from PubChem (CID 11709955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).