N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine

C17H19N5 — CID 12569677

IUPACN,1-bis(2,4-dimethylphenyl)tetrazol-5-amine
SMILESCc1ccc(Nc2nnnn2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H19N5/c1-11-5-7-15(13(3)9-11)18-17-19-20-21-22(17)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,18,19,21)
InChIKeyBPFCXDUVIPOWHY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.64
Rot. Bonds3

About N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine

N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine (PubChem CID 12569677) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN,1-bis(2,4-dimethylphenyl)tetrazol-5-amine
PubChem CID12569677
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN,1-bis(2,4-dimethylphenyl)tetrazol-5-amine
SMILESCc1ccc(Nc2nnnn2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H19N5/c1-11-5-7-15(13(3)9-11)18-17-19-20-21-22(17)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,18,19,21)
InChIKeyBPFCXDUVIPOWHY-UHFFFAOYSA-N
XLogP3.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine?
The IUPAC name of N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine (CID 12569677) is N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine.
What is the SMILES notation for N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine?
The canonical SMILES for N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine is Cc1ccc(Nc2nnnn2-c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine?
The InChIKey is BPFCXDUVIPOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-11-5-7-15(13(3)9-11)18-17-19-20-21-22(17)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,18,19,21).
What are the key properties of N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine?
N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine has a molecular weight of 293.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,4-dimethylphenyl)tetrazol-5-amine is sourced from PubChem (CID 12569677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).