N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C15H19N7 — CID 33091887

IUPACN-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1nnnn1Cc1ccccc1
InChIInChI=1S/C15H19N7/c1-20(9-14-8-16-21(2)10-14)12-15-17-18-19-22(15)11-13-6-4-3-5-7-13/h3-8,10H,9,11-12H2,1-2H3
InChIKeyUYJAFDLMSAKFIA-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.09
Rot. Bonds6

About N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 33091887) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID33091887
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC NameN-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1nnnn1Cc1ccccc1
InChIInChI=1S/C15H19N7/c1-20(9-14-8-16-21(2)10-14)12-15-17-18-19-22(15)11-13-6-4-3-5-7-13/h3-8,10H,9,11-12H2,1-2H3
InChIKeyUYJAFDLMSAKFIA-UHFFFAOYSA-N
XLogP1.09
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 33091887) is N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CN(Cc1cnn(C)c1)Cc1nnnn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is UYJAFDLMSAKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-20(9-14-8-16-21(2)10-14)12-15-17-18-19-22(15)11-13-6-4-3-5-7-13/h3-8,10H,9,11-12H2,1-2H3.
What are the key properties of N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 297.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 33091887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).