N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine

C11H15N5 — CID 136571601

IUPACN-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine
SMILESCC(C)c1ncc(CNc2cnccn2)[nH]1
InChIInChI=1S/C11H15N5/c1-8(2)11-15-6-9(16-11)5-14-10-7-12-3-4-13-10/h3-4,6-8H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNNIMLJZVIBTILI-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.94
Rot. Bonds4

About N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine

N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine (PubChem CID 136571601) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine
PubChem CID136571601
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine
SMILESCC(C)c1ncc(CNc2cnccn2)[nH]1
InChIInChI=1S/C11H15N5/c1-8(2)11-15-6-9(16-11)5-14-10-7-12-3-4-13-10/h3-4,6-8H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNNIMLJZVIBTILI-UHFFFAOYSA-N
XLogP1.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine (CID 136571601) is N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine is CC(C)c1ncc(CNc2cnccn2)[nH]1.
What is the InChIKey of N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine?
The InChIKey is NNIMLJZVIBTILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(2)11-15-6-9(16-11)5-14-10-7-12-3-4-13-10/h3-4,6-8H,5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine?
N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 136571601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).