N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine

C9H11N5 — CID 64548380

IUPACN-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine
SMILESc1cnc(CNCc2ncc[nH]2)cn1
InChIInChI=1S/C9H11N5/c1-2-12-8(5-10-1)6-11-7-9-13-3-4-14-9/h1-5,11H,6-7H2,(H,13,14)
InChIKeyZXOPDBPCAMCKIJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.49
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine

N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine (PubChem CID 64548380) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine
PubChem CID64548380
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine
SMILESc1cnc(CNCc2ncc[nH]2)cn1
InChIInChI=1S/C9H11N5/c1-2-12-8(5-10-1)6-11-7-9-13-3-4-14-9/h1-5,11H,6-7H2,(H,13,14)
InChIKeyZXOPDBPCAMCKIJ-UHFFFAOYSA-N
XLogP0.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine (CID 64548380) is N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine is c1cnc(CNCc2ncc[nH]2)cn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine?
The InChIKey is ZXOPDBPCAMCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-12-8(5-10-1)6-11-7-9-13-3-4-14-9/h1-5,11H,6-7H2,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine?
N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine has a molecular weight of 189.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 64548380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).