N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

C13H19N5 — CID 66149306

IUPACN-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1cnc(Cn2cncc2CNC(C)C)cn1
InChIInChI=1S/C13H19N5/c1-10(2)15-7-13-6-14-9-18(13)8-12-5-16-11(3)4-17-12/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeySFJXOJSMGBOFKD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.53
Rot. Bonds5

About N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66149306) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66149306
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1cnc(Cn2cncc2CNC(C)C)cn1
InChIInChI=1S/C13H19N5/c1-10(2)15-7-13-6-14-9-18(13)8-12-5-16-11(3)4-17-12/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeySFJXOJSMGBOFKD-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66149306) is N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is Cc1cnc(Cn2cncc2CNC(C)C)cn1.
What is the InChIKey of N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is SFJXOJSMGBOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)15-7-13-6-14-9-18(13)8-12-5-16-11(3)4-17-12/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66149306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).