N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine

C9H12N4 — CID 10797364

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine
SMILESc1cc(NCCc2cnc[nH]2)c[nH]1
InChIInChI=1S/C9H12N4/c1-3-10-5-8(1)12-4-2-9-6-11-7-13-9/h1,3,5-7,10,12H,2,4H2,(H,11,13)
InChIKeyLULXDKKCNMZREG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine

N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine (PubChem CID 10797364) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine
PubChem CID10797364
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine
SMILESc1cc(NCCc2cnc[nH]2)c[nH]1
InChIInChI=1S/C9H12N4/c1-3-10-5-8(1)12-4-2-9-6-11-7-13-9/h1,3,5-7,10,12H,2,4H2,(H,11,13)
InChIKeyLULXDKKCNMZREG-UHFFFAOYSA-N
XLogP1.39
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine (CID 10797364) is N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine is c1cc(NCCc2cnc[nH]2)c[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine?
The InChIKey is LULXDKKCNMZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-10-5-8(1)12-4-2-9-6-11-7-13-9/h1,3,5-7,10,12H,2,4H2,(H,11,13).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine has a molecular weight of 176.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine is sourced from PubChem (CID 10797364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).