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

C9H15N7 — CID 79786959

IUPACN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1-c1cnn(C)c1
InChIInChI=1S/C9H15N7/c1-7(2)10-5-9-12-13-14-16(9)8-4-11-15(3)6-8/h4,6-7,10H,5H2,1-3H3
InChIKeyWTXUWXRYXRGMIC-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.11
Rot. Bonds4

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

N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 79786959) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID79786959
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1-c1cnn(C)c1
InChIInChI=1S/C9H15N7/c1-7(2)10-5-9-12-13-14-16(9)8-4-11-15(3)6-8/h4,6-7,10H,5H2,1-3H3
InChIKeyWTXUWXRYXRGMIC-UHFFFAOYSA-N
XLogP-0.11
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine (CID 79786959) is N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1-c1cnn(C)c1.
What is the InChIKey of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is WTXUWXRYXRGMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-7(2)10-5-9-12-13-14-16(9)8-4-11-15(3)6-8/h4,6-7,10H,5H2,1-3H3.
What are the key properties of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 221.27 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 79786959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).