2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

C12H21N7 — CID 107054670

IUPAC2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1nn(Cc2nnn(C)n2)cc1CNCC(C)C
InChIInChI=1S/C12H21N7/c1-9(2)5-13-6-11-7-19(15-10(11)3)8-12-14-17-18(4)16-12/h7,9,13H,5-6,8H2,1-4H3
InChIKeyNYUFDOXYPCHXGJ-UHFFFAOYSA-N
MW263.35 g/mol
LogP0.51
Rot. Bonds6

About 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 107054670) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID107054670
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1nn(Cc2nnn(C)n2)cc1CNCC(C)C
InChIInChI=1S/C12H21N7/c1-9(2)5-13-6-11-7-19(15-10(11)3)8-12-14-17-18(4)16-12/h7,9,13H,5-6,8H2,1-4H3
InChIKeyNYUFDOXYPCHXGJ-UHFFFAOYSA-N
XLogP0.51
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107053699
2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965352
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104811698
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 107053306
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592
N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042666
N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82871442
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 107054670) is 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is Cc1nn(Cc2nnn(C)n2)cc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is NYUFDOXYPCHXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-9(2)5-13-6-11-7-19(15-10(11)3)8-12-14-17-18(4)16-12/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 263.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 107054670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).