2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

C11H19N7 — CID 107053699

IUPAC2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnn(Cc2nnn(C)n2)c1
InChIInChI=1S/C11H19N7/c1-9(2)4-12-5-10-6-13-18(7-10)8-11-14-16-17(3)15-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyAALUKIQBTMTSCF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.20
Rot. Bonds6

About 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 107053699) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID107053699
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnn(Cc2nnn(C)n2)c1
InChIInChI=1S/C11H19N7/c1-9(2)4-12-5-10-6-13-18(7-10)8-11-14-16-17(3)15-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyAALUKIQBTMTSCF-UHFFFAOYSA-N
XLogP0.20
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107054670
N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730862
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
2-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073221
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042666
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045524
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 107053699) is 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cnn(Cc2nnn(C)n2)c1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is AALUKIQBTMTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-9(2)4-12-5-10-6-13-18(7-10)8-11-14-16-17(3)15-11/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 107053699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).