1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine

C9H14N6 — CID 667169

IUPAC1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1cccn1C
InChIInChI=1S/C9H14N6/c1-3-15-9(11-12-13-15)10-7-8-5-4-6-14(8)2/h4-6H,3,7H2,1-2H3,(H,10,11,13)
InChIKeyBIIFPIXVCLBVOD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.64
Rot. Bonds4

About 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine

1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine (PubChem CID 667169) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine
PubChem CID667169
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1cccn1C
InChIInChI=1S/C9H14N6/c1-3-15-9(11-12-13-15)10-7-8-5-4-6-14(8)2/h4-6H,3,7H2,1-2H3,(H,10,11,13)
InChIKeyBIIFPIXVCLBVOD-UHFFFAOYSA-N
XLogP0.64
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine (CID 667169) is 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine is CCn1nnnc1NCc1cccn1C.
What is the InChIKey of 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine?
The InChIKey is BIIFPIXVCLBVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-3-15-9(11-12-13-15)10-7-8-5-4-6-14(8)2/h4-6H,3,7H2,1-2H3,(H,10,11,13).
What are the key properties of 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine?
1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine has a molecular weight of 206.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 667169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).