1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine

C11H18N6 — CID 107053857

IUPAC1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2nnn(C)n2)c1
InChIInChI=1S/C11H18N6/c1-3-10(12)6-9-4-5-17(7-9)8-11-13-15-16(2)14-11/h4-5,7,10H,3,6,8,12H2,1-2H3
InChIKeyWGJSJUXXUSPZFU-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.34
Rot. Bonds5

About 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine

1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine (PubChem CID 107053857) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
PubChem CID107053857
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2nnn(C)n2)c1
InChIInChI=1S/C11H18N6/c1-3-10(12)6-9-4-5-17(7-9)8-11-13-15-16(2)14-11/h4-5,7,10H,3,6,8,12H2,1-2H3
InChIKeyWGJSJUXXUSPZFU-UHFFFAOYSA-N
XLogP0.34
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine?
The IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine (CID 107053857) is 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine is CCC(N)Cc1ccn(Cc2nnn(C)n2)c1.
What is the InChIKey of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine?
The InChIKey is WGJSJUXXUSPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-10(12)6-9-4-5-17(7-9)8-11-13-15-16(2)14-11/h4-5,7,10H,3,6,8,12H2,1-2H3.
What are the key properties of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine?
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine has a molecular weight of 234.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine is sourced from PubChem (CID 107053857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).