N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C11H12N6 — CID 2123581

IUPACN-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc(-n2cnnn2)ccc1NC1=NCCC1
InChIInChI=1S/C11H12N6/c1-2-11(12-7-1)14-9-3-5-10(6-4-9)17-8-13-15-16-17/h3-6,8H,1-2,7H2,(H,12,14)
InChIKeyRTAUIYXSQYBDHY-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.27
Rot. Bonds2

About N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2123581) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2123581
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc(-n2cnnn2)ccc1NC1=NCCC1
InChIInChI=1S/C11H12N6/c1-2-11(12-7-1)14-9-3-5-10(6-4-9)17-8-13-15-16-17/h3-6,8H,1-2,7H2,(H,12,14)
InChIKeyRTAUIYXSQYBDHY-UHFFFAOYSA-N
XLogP1.27
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 2123581) is N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is c1cc(-n2cnnn2)ccc1NC1=NCCC1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is RTAUIYXSQYBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-2-11(12-7-1)14-9-3-5-10(6-4-9)17-8-13-15-16-17/h3-6,8H,1-2,7H2,(H,12,14).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 228.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2123581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).