5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole

C11H17N5 — CID 123688275

IUPAC5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole
SMILESCCCCn1cc(-c2nnnn2C)cc1C
InChIInChI=1S/C11H17N5/c1-4-5-6-16-8-10(7-9(16)2)11-12-13-14-15(11)3/h7-8H,4-6H2,1-3H3
InChIKeyZFMABIATBVEEDZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds4

About 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole

5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole (PubChem CID 123688275) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole
PubChem CID123688275
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole
SMILESCCCCn1cc(-c2nnnn2C)cc1C
InChIInChI=1S/C11H17N5/c1-4-5-6-16-8-10(7-9(16)2)11-12-13-14-15(11)3/h7-8H,4-6H2,1-3H3
InChIKeyZFMABIATBVEEDZ-UHFFFAOYSA-N
XLogP1.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
CID 61352271
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
[4-(1-methyltetrazol-5-yl)phenyl]methanol
CID 84771469
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462
3-(1-butyltetrazol-5-yl)-5-methylaniline
CID 113396325
3-(1-butyltetrazol-5-yl)-5-methoxyaniline
CID 81091803
5-(3-bromophenyl)-1-methyltetrazole
CID 66904947
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline
CID 59534456
3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol
CID 66914813

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole?
The IUPAC name of 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole (CID 123688275) is 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole?
The canonical SMILES for 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole is CCCCn1cc(-c2nnnn2C)cc1C.
What is the InChIKey of 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole?
The InChIKey is ZFMABIATBVEEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-5-6-16-8-10(7-9(16)2)11-12-13-14-15(11)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole?
5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole has a molecular weight of 219.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyl-5-methylpyrrol-3-yl)-1-methyltetrazole is sourced from PubChem (CID 123688275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).