2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine

C10H13N5 — CID 10081601

IUPAC2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine
SMILESNc1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H13N5/c11-8-1-2-10(14-5-8)13-4-3-9-6-12-7-15-9/h1-2,5-7H,3-4,11H2,(H,12,15)(H,13,14)
InChIKeyRISJILFTDKTSRB-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.04
Rot. Bonds4

About 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine

2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine (PubChem CID 10081601) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine
PubChem CID10081601
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine
SMILESNc1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H13N5/c11-8-1-2-10(14-5-8)13-4-3-9-6-12-7-15-9/h1-2,5-7H,3-4,11H2,(H,12,15)(H,13,14)
InChIKeyRISJILFTDKTSRB-UHFFFAOYSA-N
XLogP1.04
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine (CID 10081601) is 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine is Nc1ccc(NCCc2cnc[nH]2)nc1.
What is the InChIKey of 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is RISJILFTDKTSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-8-1-2-10(14-5-8)13-4-3-9-6-12-7-15-9/h1-2,5-7H,3-4,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine?
2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 10081601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).