2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine

C10H17N7 — CID 79785864

IUPAC2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCn1cc(-n2nnnc2CNC(C)(C)C)cn1
InChIInChI=1S/C10H17N7/c1-10(2,3)11-6-9-13-14-15-17(9)8-5-12-16(4)7-8/h5,7,11H,6H2,1-4H3
InChIKeyKABKINHYTQYSER-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 79785864) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID79785864
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCn1cc(-n2nnnc2CNC(C)(C)C)cn1
InChIInChI=1S/C10H17N7/c1-10(2,3)11-6-9-13-14-15-17(9)8-5-12-16(4)7-8/h5,7,11H,6H2,1-4H3
InChIKeyKABKINHYTQYSER-UHFFFAOYSA-N
XLogP0.28
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine (CID 79785864) is 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine is Cn1cc(-n2nnnc2CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is KABKINHYTQYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-10(2,3)11-6-9-13-14-15-17(9)8-5-12-16(4)7-8/h5,7,11H,6H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 79785864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).