N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine

C19H21N7O — CID 20789132

IUPACN,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C19H21N7O/c1-26(2)10-3-11-27-15-7-4-13(5-8-15)18-16-12-14(19-22-24-25-23-19)6-9-17(16)20-21-18/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)(H,22,23,24,25)
InChIKeyMCKLIRMMKYCDQA-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.74
Rot. Bonds7

About N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine

N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine (PubChem CID 20789132) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine
PubChem CID20789132
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C19H21N7O/c1-26(2)10-3-11-27-15-7-4-13(5-8-15)18-16-12-14(19-22-24-25-23-19)6-9-17(16)20-21-18/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)(H,22,23,24,25)
InChIKeyMCKLIRMMKYCDQA-UHFFFAOYSA-N
XLogP2.74
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine (CID 20789132) is N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine is CN(C)CCCOc1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine?
The InChIKey is MCKLIRMMKYCDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-26(2)10-3-11-27-15-7-4-13(5-8-15)18-16-12-14(19-22-24-25-23-19)6-9-17(16)20-21-18/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)(H,22,23,24,25).
What are the key properties of N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine?
N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine has a molecular weight of 363.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenoxy]propan-1-amine is sourced from PubChem (CID 20789132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).