N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine

C8H13N7 — CID 79786958

IUPACN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cnn(C)c1
InChIInChI=1S/C8H13N7/c1-3-9-5-8-11-12-13-15(8)7-4-10-14(2)6-7/h4,6,9H,3,5H2,1-2H3
InChIKeyRNPDVSAHCYBPCN-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.49
Rot. Bonds4

About N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 79786958) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID79786958
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cnn(C)c1
InChIInChI=1S/C8H13N7/c1-3-9-5-8-11-12-13-15(8)7-4-10-14(2)6-7/h4,6,9H,3,5H2,1-2H3
InChIKeyRNPDVSAHCYBPCN-UHFFFAOYSA-N
XLogP-0.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.49
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]ethanamine?
The IUPAC name of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine (CID 79786958) is N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cnn(C)c1.
What is the InChIKey of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is RNPDVSAHCYBPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-3-9-5-8-11-12-13-15(8)7-4-10-14(2)6-7/h4,6,9H,3,5H2,1-2H3.
What are the key properties of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of -0.49, 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]ethanamine is sourced from PubChem (CID 79786958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).